SCHEMBL214007

SCHEMBL214007

CCOC(=O)CC(O)CCl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.46
GAA P10253 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
ALDH1A1 P00352 7/20 0.43
TRPA1 O75762 1/20 0.43
ALOX15 P16050 3/20 0.40
CYP3A4 P08684 2/20 0.40
TSHR P16473 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
HSD17B10 Q99714 2/20 0.39
CHRM1 P11229 1/20 0.39
ADORA1 P30542 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
CYP1A2 P05177 1/20 0.38
LMNA P02545 1/20 0.37
SOAT1 P35610 1/20 0.36

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
SCHEMBL96394 1.00 MGAM (0.46) MGAMGAASIMGAM2ALDH1A1
SCHEMBL96009 1.00 MGAM (0.46) MGAMGAASIMGAM2ALDH1A1
SCHEMBL14297015 0.90 MGAM (0.41) MGAMGAASIMGAM2ALDH1A1
SCHEMBL2224711 0.90 MGAM (0.41) MGAMGAASIMGAM2ALDH1A1
SCHEMBL2364323 0.88 GAA (0.45) MGAMGAASIMGAM2ALDH1A1
SCHEMBL1258369 0.86 GAA (0.55) MGAMGAASIMGAM2ALDH1A1
SCHEMBL14297014 0.84 GAA (0.50) MGAMGAASIMGAM2ALDH1A1
SCHEMBL6155100 0.83 ALDH1A1 (0.36) ALDH1A1LMNAKDM4EL3MBTL1
SCHEMBL10779003 0.83 ALDH1A1 (0.36) ALDH1A1LMNAKDM4EL3MBTL1
SCHEMBL3853840 0.82 MGAM (0.50) MGAMGAASIMGAM2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112143688-B Construction and application of recombinant escherichia coli 鲁南制药集团股份有限公司 2024-05-07 CN claimed
CN-117947112-A Preparation method of (R) -4-chloro-3-hydroxy-ethyl butyrate 万华化学集团股份有限公司 2024-04-30 CN claimed
CN-117757826-A Recombinant expression plasmid of short-chain dehydrogenase, recombinant genetically engineered bacterium and application thereof 浙江工业大学 2024-03-26 CN claimed
CN-117721088-A Glucose dehydrogenase mutant and use thereof 万华化学集团股份有限公司 2024-03-19 CN claimed
CN-113652408-B Carbonyl reductase mutant and application thereof in synthesis of (R) -4-chloro-3-hydroxybutyrate ethyl ester 华东理工大学 2024-02-20 CN claimed
CN-117511893-A Carbonyl reductase mutant and application thereof 安徽丰原发酵技术工程研究有限公司 2024-02-06 CN claimed
CN-117402843-A Ketoreductase from schizosaccharomyces japonica yFS275 and application thereof 万华化学集团股份有限公司 2024-01-16 CN claimed
CN-117402839-A Ketoreductase and application thereof in preparation of (R) -4-chloro-3-hydroxybutyrate 万华化学集团股份有限公司 2024-01-16 CN claimed
CN-117384868-A Engineered ketoreductase and method for preparing chiral alcohol compounds 宁波酶赛生物工程有限公司 2024-01-12 CN claimed
CN-114380706-B Method and device for continuously preparing L-carnitine at low cost 浙江财和生物科技有限公司 2024-01-09 CN claimed
EP-1981831-A2 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF Vaidya, Niteen A. (US) 2008-10-22 EP 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
US-7202069-B2 (R)-2-octanol dehydrogenases, methods for producing the enzymes, DNA encoding the enzymes, and methods for producing alcohols using the enzymes DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2007-04-10 US claimed
WO-2005005375-A1 METHOD FOR PRODUCING 4-CYANO-3-HYDROXYBUTYRIC ACID ESTERS LANXESS DEUTSCHLAND GMBH (DE) 2005-01-20 WO claimed
US-20040126857-A1 (R)-2-octanol dehydrogenases, methods for producing the enzymes, DNA encoding the enzymes, and methods for producing alcohols using the enzymes DAICEL CHEMICAL INDUSTRIES, LTD., A JAPAN CORPORATION 2004-07-01 US claimed
US-20020192783-A1 (R)-2-octanol dehydrogenases, methods for producing the enzymes, DNA encoding the enzymes, and methods for producing alcohols using the enzymes DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2002-12-19 US claimed
WO-2001060986-A9 ESTERASE ENZYMES HAVING SELECTIVE ACTIVITY THERMOGEN INC (US) 2002-10-17 WO claimed
EP-1179595-A1 (R)-2-OCTANOL DEHYDROGENASE, PROCESS FOR PRODUCING THE ENZYME, DNA ENCODING THE ENZYME AND PROCESS FOR PRODUCING ALCOHOL BY USING THE SAME Daicel Chemical Industries, Ltd. (JP) 2002-02-13 EP claimed
WO-2001060986-A2 ESTERASE ENZYMES HAVING SELECTIVE ACTIVITY THERMOGEN, INC. (US) 2001-08-23 WO 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-20040126857-A1 (R)-2-octanol dehydrogenases, methods for producing the enzymes, DNA encoding the enzymes, and methods for producing alcohols using the enzymes OGA, HOGA1, ADH1A MGAM 164/4885GAA 938/4885SI 710/4885
US-20020192783-A1 (R)-2-octanol dehydrogenases, methods for producing the enzymes, DNA encoding the enzymes, and methods for producing alcohols using the enzymes OGA, HOGA1, ADH1A MGAM 164/4885GAA 938/4885SI 710/4885

“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.