SCHEMBL1136022

SCHEMBL1136022

O=C(O)CC(=O)C[C@H](O)CCl

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.42
LDHA P00338 1/20 0.36
SRR Q9GZT4 1/20 0.36
GABRR1 P24046 2/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3439292 1.00 SLC22A6 (0.42) SLC22A6LDHASRRGABRR1LMNA
SCHEMBL2227119 1.00 SLC22A6 (0.42) SLC22A6LDHASRRGABRR1LMNA
SCHEMBL1405707 0.79
SCHEMBL30972500 0.79
SCHEMBL2687087 0.79
SCHEMBL374298 0.79
SCHEMBL14212308 0.79 KDM4E (0.38) TSHRCA1CA2CA9
SCHEMBL4669398 0.78 SLC22A6 (0.43) SLC22A6LDHASRRGABRR1LMNA
SCHEMBL1135942 0.78 SLC22A6 (0.43) SLC22A6LDHASRRGABRR1LMNA
Bicarbonate SCHEMBL17054410 0.77 SLC22A6 (0.63) SLC22A6GABRR1LMNATSHRCA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 91 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107653238-B Carbonyl reductase gene engineering bacterium immobilized cell and application thereof 浙江工业大学 2021-05-11 CN claimed
CN-109295019-B Alcohol dehydrogenase mutant and application thereof 浙江大学 2021-01-12 CN claimed
CN-111647591-A Method for preparing statin intermediate by using immobilized enzyme 湖州颐盛生物科技有限公司 2020-09-11 CN claimed
US-10724008-B2 Ketoreductases C-LECTA GMBH (DE) 2020-07-28 US claimed
EP-3134519-B1 KETOREDUCTASES C LECTA GMBH (DE) 2018-06-06 EP claimed
US-20170218345-A1 KETOREDUCTASES C-LECTA GMBH (DE) 2017-08-03 US claimed
EP-3134519-A1 KETOREDUCTASES c-LEcta GmbH (DE) 2017-03-01 EP claimed
US-9228214-B2 Process for the enantioselective enzymatic reduction of hydroxy keto compounds CAMBREX IEP GMBH (DE) 2016-01-05 US claimed
WO-2015162064-A1 KETOREDUCTASES C-LECTA GMBH (DE) 2015-10-29 WO claimed
US-20150152451-A1 PROCESS FOR THE ENANTIOSELECTIVE ENZYMATIC REDUCTION OF HYDROXY KETO COMPOUNDS CAMBREX IEP GMBH (DE) 2015-06-04 US claimed
US-8980592-B2 Process for the enantioselective enzymatic reduction of hydroxy keto compounds CAMBREX IEP GMBH (DE) 2015-03-17 US claimed
EP-1963516-B1 METHOD FOR THE ENANTIOSELECTIVE ENZYMATIC REDUCTION OF HYDROXYKETO COMPOUNDS IEP GMBH (DE) 2011-02-23 EP claimed
US-20090221044-A1 Process for the Enantioselective Enzymatic Reduction of Hydroxy Keto Compounds IEP GMBH (DE) 2009-09-03 US claimed
CN-101432435-A Method for the enantioselective enzymatic reduction of hydroxyketo compounds IEP GMBH (DE) 2009-05-13 CN claimed
EP-1963516-A1 METHOD FOR THE ENANTIOSELECTIVE ENZYMATIC REDUCTION OF HYDROXYKETO COMPOUNDS IEP GmbH (DE) 2008-09-03 EP claimed
WO-2007073875-A1 METHOD FOR THE ENANTIOSELECTIVE ENZYMATIC REDUCTION OF HYDROXYKETO COMPOUNDS IEP GMBH (DE) 2007-07-05 WO claimed
EP-1152054-B1 NOVEL CARBONYL REDUCTASE, GENE THEREOF AND METHOD OF USING THE SAME KANEKA CORP (JP) 2005-03-23 EP claimed
US-6645746-B1 Expression vector; transformants; E. coli; Candida; Bacillus; use of microorganisms to produce t-butyl(3R,5S)-6-chloro-3,5 -dihydroxyhexanoate, by enzymatic asymmetrical reduction, for drug, pesticide and HMG-CoA reductase inhibitor synthesis KANEKA CORPORATION (JP) 2003-11-11 US claimed
EP-1152054-A1 NOVEL CARBONYL REDUCTASE, GENE THEREOF AND METHOD OF USING THE SAME Kaneka Corporation (JP) 2001-11-07 EP claimed
CN-117904066-A Recombinant carbonyl reductase mutant and application thereof in catalytic synthesis of chiral alcohol 浙江工业大学 2024-04-19 CN disclosed
CN-114436834-A Method for synthesizing rosuvastatin calcium intermediate by using continuous flow microchannel reactor 江苏阿尔法药业股份有限公司 2022-05-06 CN disclosed
CN-110423741-B Carbonyl reductase-coenzyme NADP+Co-immobilized enzyme and preparation and application thereof 浙江工业大学 2021-08-17 CN disclosed
CN-107779459-B Glucose dehydrogenase DNA molecule, vector, strain and application 安琪酵母股份有限公司 2021-06-08 CN disclosed
CN-107653238-B Carbonyl reductase gene engineering bacterium immobilized cell and application thereof 浙江工业大学 2021-05-11 CN disclosed
CN-110106130-B Transaminase-coenzyme co-immobilized engineering bacteria cell and application thereof 浙江工业大学 2021-05-04 CN disclosed
CN-110387359-B Carbonyl reductase mutant and application thereof 湖州颐盛生物科技有限公司 2021-04-20 CN disclosed
CN-110387359-B Carbonyl reductase mutant and application thereof 湖州颐盛生物科技有限公司 2021-04-20 CN disclosed
CN-107794270-B Ketone reductase DNA molecule, recombinant vector, strain and application 安琪酵母股份有限公司 2021-02-02 CN disclosed
CN-109295019-B Alcohol dehydrogenase mutant and application thereof 浙江大学 2021-01-12 CN disclosed
CN-109295019-B Alcohol dehydrogenase mutant and application thereof 浙江大学 2021-01-12 CN disclosed
CN-108486075-B Recombinant carbonyl reductase mutant, gene, engineering bacterium and application thereof 浙江工业大学 2020-11-13 CN disclosed
CN-107058251-B Recombinant carbonyl reductase mutant, gene, vector, engineering bacterium and application thereof 浙江工业大学 2020-10-09 CN disclosed
CN-111647591-A Method for preparing statin intermediate by using immobilized enzyme 湖州颐盛生物科技有限公司 2020-09-11 CN disclosed
CN-111647591-A Method for preparing statin intermediate by using immobilized enzyme 湖州颐盛生物科技有限公司 2020-09-11 CN disclosed
US-10724008-B2 Ketoreductases C-LECTA GMBH (DE) 2020-07-28 US disclosed
US-10093905-B2 Ketoreductases C-LECTA GMBH (DE) 2018-10-09 US disclosed
CN-108486075-A A kind of recombination carbonyl reduction enzyme mutant, gene, engineering bacteria and its application 浙江工业大学 2018-09-04 CN disclosed
EP-3134519-B1 KETOREDUCTASES C LECTA GMBH (DE) 2018-06-06 EP disclosed
US-20170218345-A1 KETOREDUCTASES C-LECTA GMBH (DE) 2017-08-03 US disclosed
EP-2890810-B1 SENSOR FOR NADP (H) AND DEVELOPMENT OF ALCOHOL DEHYDROGENASES FORSCHUNGSZENTRUM JUELICH GMBH (DE) 2017-08-02 EP disclosed
EP-3134519-A1 KETOREDUCTASES c-LEcta GmbH (DE) 2017-03-01 EP disclosed
US-9228214-B2 Process for the enantioselective enzymatic reduction of hydroxy keto compounds CAMBREX IEP GMBH (DE) 2016-01-05 US disclosed
CN-105087685-A Method for synthesizing (3R,5S)-6-chloro-3,5-dihydroxyhexanoate LIANYUNGANG HONGYE CHEMICAL CO LTD 2015-11-25 CN disclosed
WO-2015162064-A1 KETOREDUCTASES C-LECTA GMBH (DE) 2015-10-29 WO disclosed
EP-2890810-A1 SENSOR FOR NADP (H) AND DEVELOPMENT OF ALCOHOL DEHYDROGENASES Forschungszentrum Jülich GmbH (DE) 2015-07-08 EP disclosed
CN-104726506-A Preparation method of tert-butyl (3R,5S)-6-chloro-3,5-dihydroxyhexanoate ENZYMEWORKS INC 2015-06-24 CN disclosed
US-20150152451-A1 PROCESS FOR THE ENANTIOSELECTIVE ENZYMATIC REDUCTION OF HYDROXY KETO COMPOUNDS CAMBREX IEP GMBH (DE) 2015-06-04 US disclosed
CN-104651290-A Engineering bacterium and application thereof in preparation of atorvastatin drug intermediate UNIV ZHEJIANG 2015-05-27 CN disclosed
US-8980592-B2 Process for the enantioselective enzymatic reduction of hydroxy keto compounds CAMBREX IEP GMBH (DE) 2015-03-17 US disclosed
CN-104328148-A Method for preparing tert-butyl (3R, 5S)-6-chloro-3,5-dihydroxy hexanoate by using enzymatic method SYNCOZYMES SHANGHAI CO LTD 2015-02-04 CN disclosed
WO-2014203045-A1 A NOVEL, GREEN AND COST EFFECTIVE PROCESS FOR SYNTHESIS OF TERT-BUTYL (3R,5S)-6-OXO-3,5-DIHYDROXY-3,5-O-ISOPROPYLIDENE-HEXANOATE LUPIN LIMITED (IN) 2014-12-24 WO disclosed
WO-2014032777-A1 SENSOR FOR NADP (H) AND DEVELOPMENT OF ALCOHOL DEHYDROGENASES Forschungszentrum Jülich GmbH (DE) 2014-03-06 WO disclosed
CN-103483195-A Preparation method of tert-butyl (3R,5S)-6-chloro-3,5-dihydroxyhexanoate Huanggang huayang pharmaceutical co ltd 2014-01-01 CN disclosed
EP-1963516-B1 METHOD FOR THE ENANTIOSELECTIVE ENZYMATIC REDUCTION OF HYDROXYKETO COMPOUNDS IEP GMBH (DE) 2011-02-23 EP disclosed
EP-1619191-B1 Process for producing optically active 2-[6-(hydroxymethyl)-1,3-dioxan-4-yl] acetic acid derivatives KANEKA CORP (JP) 2010-10-27 EP disclosed
US-20090221044-A1 Process for the Enantioselective Enzymatic Reduction of Hydroxy Keto Compounds IEP GMBH (DE) 2009-09-03 US disclosed
EP-1583730-B1 NOVEL PROCESS FOR PREPARING A 5-HYDROXY-3-OXO-HEXANOIC ACID DERIVATIVE LG LIFE SCIENCES LTD (KR) 2009-08-05 EP disclosed
CN-101432435-A Method for the enantioselective enzymatic reduction of hydroxyketo compounds IEP GMBH (DE) 2009-05-13 CN disclosed
EP-1963516-A1 METHOD FOR THE ENANTIOSELECTIVE ENZYMATIC REDUCTION OF HYDROXYKETO COMPOUNDS IEP GmbH (DE) 2008-09-03 EP disclosed
EP-1394157-B1 Process for the preparation of 3,5-dihydroxy substituted esters as intermediates for producing optically active 2-(6-(hydroxymethyl)-1,3-dioxan-4-yl) acetic acid dervatives KANEKA CORP (JP) 2007-10-17 EP disclosed
WO-2007073875-A1 METHOD FOR THE ENANTIOSELECTIVE ENZYMATIC REDUCTION OF HYDROXYKETO COMPOUNDS IEP GMBH (DE) 2007-07-05 WO disclosed
US-RE39333-E1 Process for the preparation of 5-hydroxy-3-oxopentanoic acid derivatives KANEKA CORPORATION (JP) 2006-10-10 US disclosed
EP-1583730-A4 NOVEL PROCESS FOR PREPARING A 5-HYDROXY-3-OXO-HEXANOIC ACID DERIVATIVE LG LIFE SCIENCES LTD (KR) 2006-08-09 EP disclosed
US-7081546-B2 Blaise reaction of optionally OH-protected S)-4-halo-3-hydroxybutyronitrile with haloacetate in the presence of zinc metal activated by an organic acid to prepare a 5-hydroxy-3-oxo-hexanoic aicid derivative or its tautomer and hydrolyzing to remove protecting group (e.g., trisubstituted silyl) LG LIFE SCIENCES LTD. (KR) 2006-07-25 US disclosed
US-20060079710-A1 Novel process for preparing a 5-hydroxy-3-oxo-hexanoic acid derivative LG LIFE SCIENCES LTD. (KR) 2006-04-13 US disclosed
EP-1619191-A2 Process for producing optically active 2-[6-(hydroxymethyl)-1,3-dioxan-4-yl] acetic acid derivatives KANEKA CORPORATION (JP) 2006-01-25 EP disclosed
EP-1583730-A1 NOVEL PROCESS FOR PREPARING A 5-HYDROXY-3-OXO-HEXANOIC ACID DERIVATIVE LG Life Sciences Ltd. (KR) 2005-10-12 EP disclosed
US-6903225-B2 Process for producing optically active 2-[6-(hydroxymethyl)-1,3-dioxan-4-yl]acetic acid derivatives KANEKA CORPORATION (JP) 2005-06-07 US disclosed
EP-1152054-B1 NOVEL CARBONYL REDUCTASE, GENE THEREOF AND METHOD OF USING THE SAME KANEKA CORP (JP) 2005-03-23 EP disclosed
EP-1152054-B1 NOVEL CARBONYL REDUCTASE, GENE THEREOF AND METHOD OF USING THE SAME KANEKA CORP (JP) 2005-03-23 EP disclosed
WO-2004063132-A1 NOVEL PROCESS FOR PREPARING A 5-HYDROXY-3-OXO-HEXANOIC ACID DERIVATIVE LG LIFE SCIENCES LTD. (KR) 2004-07-29 WO disclosed
EP-1024139-B1 PROCESS FOR THE PREPARATION OF OPTICALLY ACTIVE 2-(6-(HYDROXYMETHYL)-1,3-DIOXAN-4-YL) ACETIC ACID DERIVATIVES KANEKA CORP (JP) 2004-05-12 EP disclosed
EP-1104750-B1 PROCESSES FOR THE PREPARATION OF 5-HYDROXY-3-OXOPENTANOIC ACID DERIVATIVES KANEKA CORP (JP) 2004-04-14 EP disclosed
EP-1394157-A2 Process for the preparation of 3,5-dihydroxy substituted esters as intermediates for producing optically active 2-(6-(hydroxymethyl)-1,3-dioxan-4-yl) acetic acid dervatives KANEKA CORPORATION (JP) 2004-03-03 EP disclosed
US-6645746-B1 Expression vector; transformants; E. coli; Candida; Bacillus; use of microorganisms to produce t-butyl(3R,5S)-6-chloro-3,5 -dihydroxyhexanoate, by enzymatic asymmetrical reduction, for drug, pesticide and HMG-CoA reductase inhibitor synthesis KANEKA CORPORATION (JP) 2003-11-11 US disclosed
US-6645746-B1 Expression vector; transformants; E. coli; Candida; Bacillus; use of microorganisms to produce t-butyl(3R,5S)-6-chloro-3,5 -dihydroxyhexanoate, by enzymatic asymmetrical reduction, for drug, pesticide and HMG-CoA reductase inhibitor synthesis KANEKA CORPORATION (JP) 2003-11-11 US disclosed
WO-2003072793-A2 METHOD FOR PRODUCING ALCOHOLS FROM SUBSTRATES BY USING OXIDE REDUCTASES, TWO-PHASE SYSTEM COMPRISING AN AQUEOUS PHASE AND AN ORGANIC PHASE AND DEVICE FOR CARRYING OUT SAID METHOD Forschungszentrum Jülich GmbH (DE) 2003-09-04 WO disclosed
US-20030040634-A1 Process for producing optically active 2-[6-(hydroxymethyl)-1,3-dioxan-4yl]acetic acid derivatives KANEKA CORPORATION (JP) 2003-02-27 US disclosed
EP-1152054-A4 NOVEL CARBONYL REDUCTASE, GENE THEREOF AND METHOD OF USING THE SAME KANEKA CORP (JP) 2002-11-20 EP disclosed
US-6472544-B1 REACTING ACETIC ACID DERIVATIVE WITH AN ENOLATE, REDUCING WITH A MICROORGANISM, ACETALIZING IN PRESENCE OF ACID CATALYST THEN ALKALINE SAPONIFICATION; NO SPECIAL EQUIPMENT OR SUPER LOW TEMPERATURE REQUIRED; INEXPENSIVE STARTING MATERIALS KANEKA CORPORATION (JP) 2002-10-29 US disclosed
US-6340767-B1 REACTION OF LITHIUM AMIDE WITH ACETIC ACID ESTER AND HYDROXY PROPIONIC ACID KANEKA CORPORATION (JP) 2002-01-22 US disclosed
EP-1152054-A1 NOVEL CARBONYL REDUCTASE, GENE THEREOF AND METHOD OF USING THE SAME Kaneka Corporation (JP) 2001-11-07 EP disclosed
EP-1152054-A1 NOVEL CARBONYL REDUCTASE, GENE THEREOF AND METHOD OF USING THE SAME Kaneka Corporation (JP) 2001-11-07 EP disclosed
EP-1141373-A1 METHOD FOR THE ENANTIOSELECTIVE REDUCTION OF 3,5-DIOXOCARBOXYLIC ACIDS, THEIR SALTS AND THEIR ESTERS FORSCHUNGSZENTRUM JÜLICH GMBH (DE) 2001-10-10 EP disclosed
WO-2001040450-A1 NOVEL CARBONYL REDUCTASE, GENE THEREOF AND METHOD OF USING THE SAME KANEKA CORPORATION (JP) 2001-06-07 WO disclosed
EP-1104750-A1 PROCESSES FOR THE PREPARATION OF 5-HYDROXY-3-OXOPENTANOIC ACID DERIVATIVES KANEKA CORPORATION (JP) 2001-06-06 EP disclosed
EP-1024139-A1 PROCESS FOR THE PREPARATION OF OPTICALLY ACTIVE 2- 6-(HYDROXYMETHYL)-1,3-DIOXAN-4-YL]ACETIC ACID DERIVATIVES KANEKA CORPORATION (JP) 2000-08-02 EP disclosed
WO-2000036134-A1 METHOD FOR THE ENANTIOSELECTIVE REDUCTION OF 3,5-DIOXOCARBOXYLIC ACIDS, THEIR SALTS AND THEIR ESTERS Forschungszentrum Jülich GmbH (DE) 2000-06-22 WO disclosed
US-5594153-A REACTING 6-HALO-3,5-DIHYDROXYHEXANOIC ACID OR DERIVATIVE THEREOF WITH DIETHER, KETONE OR UNSATURATED ETHER TO FORM 1,3-DIOXANE DERIVATIVE E. R. SQUIBB & SONS, INC. (US) 1997-01-14 US disclosed
US-5457227-A Condensing halo-substituted hydroxy ester with acetic acid, acetate salt or ester in presence of condensation agent to produce halo-substituted hydroxy keto ester E. R. SQUIBB & SONS, INC. (US) 1995-10-10 US disclosed
US-5278313-A Chemical condensation reaction E. R. SQUIBB & SONS, INC. (US) 1994-01-11 US disclosed
US-5278313-A Chemical condensation reaction E. R. SQUIBB & SONS, INC. (US) 1994-01-11 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030040634-A1 Process for producing optically active 2-[6-(hydroxymethyl)-1,3-dioxan-4yl]acetic acid derivatives HAAO, APEH, AADAC SLC22A6 2542/4885LDHA 715/4885SRR 605/4885
US-20060079710-A1 Novel process for preparing a 5-hydroxy-3-oxo-hexanoic acid derivative HMGCR, CYP8B1, CYP4A11 SLC22A6 2056/4885LDHA 294/4885SRR 326/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.