SCHEMBL96010

SCHEMBL96010

CCC(Cl)C(O)CC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.39
GPR84 Q9NQS5 4/20 0.38
MAPT P10636 1/20 0.37
GABRR1 P24046 2/20 0.36
LMNA P02545 1/20 0.36
FFAR3 O14843 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP2C9 P11712 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
SCHEMBL7705292 1.00 SLC22A6 (0.42) SLC22A6SMN1; SMN2GPR84MAPTGABRR1
SCHEMBL27767112 1.00 SLC22A6 (0.42) SLC22A6SMN1; SMN2GPR84MAPTGABRR1
SCHEMBL5182184 0.82 GPR84 (0.44) SLC22A6SMN1; SMN2GPR84MAPTGABRR1
SCHEMBL7920481 0.80 SLC22A6 (0.39) SLC22A6SMN1; SMN2GPR84MAPTGABRR1
SCHEMBL6257549 0.79 GPR84 (0.50) SLC22A6GPR84TDP1
SCHEMBL1895728 0.77 SLC22A6 (0.48) SLC22A6SMN1; SMN2GPR84MAPTGABRR1
SCHEMBL3064786 0.77 SLC22A6 (0.48) SLC22A6SMN1; SMN2GPR84MAPTGABRR1
SCHEMBL1131427 0.76 SLC22A6 (0.36) SLC22A6SMN1; SMN2GPR84MAPTFFAR3
SCHEMBL10780889 0.76 GPR84 (0.61) SLC22A6GPR84MAPTTDP1
SCHEMBL10779087 0.76 GPR84 (0.61) SLC22A6GPR84MAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210171996-A1 PROCESS FOR ENANTIOSELECTIVE ENZYMATIC REDUCTION OF KETO COMPOUNDS DR. REDDY'S LABORATORIES LIMITED (IN) 2021-06-10 US claimed
EP-2569275-B1 A PROCESS FOR THE HYDROGENATION OF KETOESTERS LONZA AG (CH) 2016-01-27 EP claimed
US-8431741-B2 Process for the hydrogenation of ketoesters LONZA LTD (CH) 2013-04-30 US claimed
EP-2569275-A1 A PROCESS FOR THE HYDROGENATION OF KETOESTERS Lonza Ltd. (CH) 2013-03-20 EP claimed
US-20120208259-A1 Halohydrin Dehalogenases and Related Polynucleotides CODEXIS, INC. (US) 2012-08-16 US claimed
US-20120041225-A1 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF VAIDYA NITEEN A (US) 2012-02-16 US claimed
US-20120016153-A1 PROCESS FOR THE HYDROGENATION OF KETOESTERS LONZA LTD (CH) 2012-01-19 US claimed
WO-2011141160-A1 A PROCESS FOR THE HYDROGENATION OF KETOESTERS LONZA LTD (CH) 2011-11-17 WO claimed
EP-2386536-A1 A process for the hydrogenation of ketoesters Lonza Ltd. (CH) 2011-11-16 EP claimed
US-8037666-B2 Mower with an lightening device including torsion bars KUHN S.A. (FR) 2011-10-18 US claimed
CN-100567321-C Oxidoreductase from pichia capsulata IEP GMBH (DE) 2009-12-09 CN claimed
EP-1505155-B1 CARBONYL REDUCTASE, GENE THEREOF AND USE OF THE SAME KANEKA CORP (JP) 2008-12-03 EP claimed
EP-1981831-A2 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF Vaidya, Niteen A. (US) 2008-10-22 EP claimed
US-20070243594-A1 Oxidoreductase from Pichia Capsulata IEP GMBH (DE) 2007-10-18 US claimed
WO-2007092264-A2 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF VAIDYA NITEEN A (US) 2007-08-16 WO claimed
US-20070185346-A1 Kit for automated resolving agent selection and method thereof VAIDYA NITEEN A 2007-08-09 US claimed
CN-1839153-A Oxidoreductase from pichia capsulata IEP GMBH (DE) 2006-09-27 CN claimed
US-20040248250-A1 Method for modifying enzyme and oxidoreductive variant KANEKA CORPORATION (JP) 2004-12-09 US claimed
US-20040197773-A1 Novel carbonyl reductase, method for producing said enzyme, DNA encoding said enzyme, and method for producing alcohol using said enzyme DAICEL CHEMICAL INDUSTRIES, LTD., A JAPANESE CORPORATION 2004-10-07 US claimed
US-6218156-B1 DNA WHICH CODES FOR ENZYME THAT CONVERTS ETHYL 4-CHLOROACETOACETATE TO ETHYL (S)-4-CHLORO-3-HYDROXYBUTYRATE; FOR OPTICALLY ACTIVE ALCOHOLS USED AS RAW MATERIALS IN DRUG AND AGRICULTURAL CHEMICAL PRODUCTION KANEKA CORPORATION (JP) 2001-04-17 US claimed

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-20120041225-A1 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF ACKR3, KIT, C3AR1 SLC22A6 4491/4885SMN1; SMN2 2706/4885GPR84 191/4885
US-20120016153-A1 PROCESS FOR THE HYDROGENATION OF KETOESTERS CBR3, BCKDK, PAOX SLC22A6 4527/4885SMN1; SMN2 4828/4885GPR84 955/4885

“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.