SCHEMBL2227119

SCHEMBL2227119

O=C(O)CC(=O)CC(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
SCHEMBL1136022 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 60 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114875081-A Green industrial production method of rosuvastatin key intermediate 湖北迅达药业股份有限公司 2022-08-09 CN claimed
CN-114410599-A Carbonyl reductase mutant and application thereof in preparing rosuvastatin chiral intermediate 浙江工业大学 2022-04-29 CN claimed
CN-108486075-B Recombinant carbonyl reductase mutant, gene, engineering bacterium and application thereof 浙江工业大学 2020-11-13 CN claimed
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 claimed
US-20120323005-A1 Process For The Preparation Of Amide Intermediates And Their Use Thereof MSN LABORATORIES PRIVATE LIMITED (IN) 2012-12-20 US claimed
WO-2011086584-A2 IMPROVED PROCESS FOR THE PREPARATION OF AMIDE INTERMEDIATES AND THEIR USE THEREOF MSN LABORATORIES LIMITED (IN) 2011-07-21 WO claimed
CN-101432435-A Method for the enantioselective enzymatic reduction of hydroxyketo compounds IEP GMBH (DE) 2009-05-13 CN 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-117625707-A Biological preparation method of (2S, 4R) -4-hydroxytetrahydrofuran-2-tert-butyl acetate 苏州华道生物药业股份有限公司 2024-03-01 CN disclosed
CN-117326977-A Preparation method of 6-cyano-5-hydroxy-3-oxo caproate 浙江财和生物科技有限公司 2024-01-02 CN disclosed
CN-114410599-B Carbonyl reductase mutant and application thereof in preparation of rosuvastatin chiral intermediate 浙江工业大学 2023-08-18 CN disclosed
CN-114875081-A Green industrial production method of rosuvastatin key intermediate 湖北迅达药业股份有限公司 2022-08-09 CN disclosed
EP-1152054-A1 NOVEL CARBONYL REDUCTASE, GENE THEREOF AND METHOD OF USING THE SAME Kaneka Corporation (JP) 2001-11-07 EP disclosed
WO-2001040450-A1 NOVEL CARBONYL REDUCTASE, GENE THEREOF AND METHOD OF USING THE SAME KANEKA CORPORATION (JP) 2001-06-07 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

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

For each of this compound's patents that has machine-readable text (1 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-20120323005-A1 Process For The Preparation Of Amide Intermediates And Their Use Thereof CETP, LCAT, APOB SLC22A6 3213/4885LDHA 2332/4885SRR 385/4885

“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.