SCHEMBL431809

SCHEMBL431809

CC(=O)CCOC(=O)CC(C)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.52
MGAM O43451 2/20 0.52
SI P14410 2/20 0.52
MGAM2 Q2M2H8 2/20 0.52
ALDH1A1 P00352 1/20 0.43
ADRA2A P08913 1/20 0.39
ADRA1A P35348 1/20 0.39
MAPT P10636 1/20 0.38
BLM P54132 1/20 0.38
TSHR P16473 2/20 0.38
DGKA P23743 1/20 0.37
LMNA P02545 1/20 0.36
SLC15A2 Q16348 1/20 0.36
KDM4E B2RXH2 1/20 0.36
KDM6B O15054 1/20 0.36
KDM5C P41229 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
PHF8 Q9UPP1 1/20 0.36
KDM2A Q9Y2K7 1/20 0.36
TRPA1 O75762 1/20 0.35

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
SCHEMBL2701579 0.87 GAA (0.60) GAAMGAMSIMGAM2ALDH1A1
Water SCHEMBL2703341 0.84 GAA (0.57) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL4465312 0.84 ADRA2A (0.54) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL10935011 0.84 MGAM (0.46) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL2184225 0.84 MGAM (0.63) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL20022348 0.83 ADRA2A (0.43) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL10990781 0.82 GAA (0.56) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL649327 0.82 MGAM (0.55) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL16411225 0.82 MGAM (0.55) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL14573478 0.82 ALDH1A1 (0.53) GAAMGAMSIMGAM2ALDH1A1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295672-A1 PROCESS FOR PRODUCING (R)-3-HYDROXYBUTYL (R)-3-HYDROXYBUTYRATE UNIV OXFORD INNOVATION LTD (GB) 2023-09-21 US disclosed
EP-2419519-B1 PROCESS FOR PRODUCING (3R)-HYDROXYBUTYL (3R)-HYDROXYBUTYRATE BY ENZYMATIC ENANTIOSELECTIVE REDUCTION EMPLOYING ALCOHOL DEHYDROGENASES OR KETO REDUCTASES UNIV OXFORD INNOVATION LTD (GB) 2019-03-27 EP disclosed
EP-2419519-B1 PROCESS FOR PRODUCING (3R)-HYDROXYBUTYL (3R)-HYDROXYBUTYRATE BY ENZYMATIC ENANTIOSELECTIVE REDUCTION EMPLOYING ALCOHOL DEHYDROGENASES OR KETO REDUCTASES UNIV OXFORD INNOVATION LTD (GB) 2019-03-27 EP disclosed
EP-2984066-B1 PROCESS FOR PRODUCING (R)-3-HYDROXYBUTYL (R)-3-HYDROXYBUTYRATE UNIV OXFORD INNOVATION LTD (GB) 2017-02-01 EP disclosed
CN-103339112-B Topical antifungal agents MEIJI SEIKA PHARMA CO.,LTD. (JP) 2015-08-12 CN disclosed
US-9034613-B2 Process for the preparation of (3R)-hydroxybutyl (3R)-hydroxybutyrate by enzymatic enantioselective reduction employing Lactobacillus brevis alcohol dehydrogenase ISIS INNOVATION LIMITED 2015-05-19 US disclosed
US-9034613-B2 Process for the preparation of (3R)-hydroxybutyl (3R)-hydroxybutyrate by enzymatic enantioselective reduction employing Lactobacillus brevis alcohol dehydrogenase ISIS INNOVATION LIMITED 2015-05-19 US disclosed
US-9034613-B2 Process for the preparation of (3R)-hydroxybutyl (3R)-hydroxybutyrate by enzymatic enantioselective reduction employing Lactobacillus brevis alcohol dehydrogenase ISIS INNOVATION LIMITED 2015-05-19 US disclosed
US-8921306-B2 Nociceptin mimetics THE UNIVERSITY OF QUEENSLAND (AU) 2014-12-30 US disclosed
US-20140308719-A1 PROCESS FOR PRODUCING (R)-3-HYDROXYBUTYL (R)-3-HYDROXYBUTYRATE OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2014-10-16 US disclosed
CN-101821257-B 5-HT7 receptor antagonists LILLY CO ELI 2013-05-22 CN disclosed
US-20120064611-A1 Process For The Preparation of (3R)-Hydroxybutyl (3R) -Hydroxybutyrate By Enzymatic Enantioselective Reduction Employing Lactobacillus Brevis Alcohol Dehydrogenase OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2012-03-15 US disclosed
US-20120064611-A1 Process For The Preparation of (3R)-Hydroxybutyl (3R) -Hydroxybutyrate By Enzymatic Enantioselective Reduction Employing Lactobacillus Brevis Alcohol Dehydrogenase OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2012-03-15 US disclosed
US-20120064611-A1 Process For The Preparation of (3R)-Hydroxybutyl (3R) -Hydroxybutyrate By Enzymatic Enantioselective Reduction Employing Lactobacillus Brevis Alcohol Dehydrogenase OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2012-03-15 US disclosed
EP-2419519-A1 PROCESS FOR THE PREPARATION OF (3R)-HYDR0XYBUTYL (3R) -HYDROXYBUTYRATE BY ENZYMATIC ENANTIOSELECTIVE REDUCTION EMPLOYING LACTOBACILLUS BREVIS ALCOHOL DEHYDROGENASE Isis Innovation Limited (GB) 2012-02-22 EP disclosed
WO-2010120300-A1 PROCESS FOR THE PREPARATION OF (3R)-HYDR0XYBUTYL (3R) -HYDROXYBUTYRATE BY ENZYMATIC ENANTIOSELECTIVE REDUCTION EMPLOYING LACTOBACILLUS BREVIS ALCOHOL DEHYDROGENASE ISIS INNOVATION LIMITED (GB) 2010-10-21 WO disclosed
WO-2010120300-A1 PROCESS FOR THE PREPARATION OF (3R)-HYDR0XYBUTYL (3R) -HYDROXYBUTYRATE BY ENZYMATIC ENANTIOSELECTIVE REDUCTION EMPLOYING LACTOBACILLUS BREVIS ALCOHOL DEHYDROGENASE ISIS INNOVATION LIMITED (GB) 2010-10-21 WO disclosed
CN-101448834-A 2-arylpyrazolo [1, 5-alpha ] pyrimidin-3-ylacetamide derivatives as transporter (18kDa) ligands UNIV SYDNEY (AU) 2009-06-03 CN disclosed
CN-1221544-C Pyrazole cyclic AMP-specific PDE inhibitors ICOS CORP (US) 2005-10-05 CN disclosed
CN-1434817-A Pyrazole cyclic AMP-specific phosphodiesterase inhibitors ICOS CORP (US) 2003-08-06 CN 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 (3 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-20120064611-A1 Process For The Preparation of (3R)-Hydroxybutyl (3R) -Hydroxybutyrate By Enzymatic Enantioselective Reduction Employing Lactobacillus Brevis Alcohol Dehydrogenase ADH5, ADH1A, ADH1C GAA 1130/4885MGAM 261/4885SI 138/4885
US-20230295672-A1 PROCESS FOR PRODUCING (R)-3-HYDROXYBUTYL (R)-3-HYDROXYBUTYRATE HCAR3, HSD17B12, HSD17B10 GAA 1830/4885MGAM 336/4885SI 143/4885
US-20140308719-A1 PROCESS FOR PRODUCING (R)-3-HYDROXYBUTYL (R)-3-HYDROXYBUTYRATE HCAR3, HSD17B12, HSD17B10 GAA 1830/4885MGAM 336/4885SI 143/4885

“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.