SCHEMBL1461694

SCHEMBL1461694

CC(=O)OC(C(=O)Cl)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.66
CYP3A4 P08684 1/20 0.66
TSHR P16473 2/20 0.51
HSD17B10 Q99714 3/20 0.50
GLS O94925 3/20 0.45
MAPK1 P28482 1/20 0.45
LMNA P02545 1/20 0.43
CASP3 P42574 1/20 0.43
CASP2 P42575 1/20 0.43
CASP7 P55210 1/20 0.43
CASP6 P55212 1/20 0.43
CASP8 Q14790 1/20 0.43
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CASP1 P29466 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PABPC1 P11940 1/20 0.41
APOBEC3A P31941 1/20 0.41

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
SCHEMBL1462200 1.00 ALDH1A1 (0.66) ALDH1A1CYP3A4TSHRHSD17B10GLS
SCHEMBL30610393 1.00 ALDH1A1 (0.66) ALDH1A1CYP3A4TSHRHSD17B10GLS
SCHEMBL1461693 1.00 ALDH1A1 (0.66) ALDH1A1CYP3A4TSHRHSD17B10GLS
SCHEMBL28130578 0.84 ALDH1A1 (0.46) ALDH1A1CYP3A4MAPK1LMNAMAPT
SCHEMBL493954 0.84 ALDH1A1 (0.70) ALDH1A1CYP3A4TSHRHSD17B10GLS
SCHEMBL12175042 0.84 ALDH1A1 (0.70) ALDH1A1CYP3A4TSHRHSD17B10GLS
SCHEMBL1286155 0.84 ALDH1A1 (0.70) ALDH1A1CYP3A4TSHRHSD17B10GLS
SCHEMBL12175072 0.84 ALDH1A1 (0.70) ALDH1A1CYP3A4TSHRHSD17B10GLS
SCHEMBL10299137 0.84 ALDH1A1 (0.70) ALDH1A1CYP3A4TSHRHSD17B10GLS
SCHEMBL628737 0.84 ALDH1A1 (0.70) ALDH1A1CYP3A4TSHRHSD17B10GLS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117003665-A Synthesis process of N, N-diethyl-2-hydroxy-2-phenylacetamide 百新(北京)药业科技有限责任公司 2023-11-07 CN claimed
CN-116554940-B Oily corrosion inhibitor and preparation method thereof 江苏太湖新材料控股有限公司 2023-11-03 CN claimed
CN-116554940-A Oily corrosion inhibitor and preparation method thereof 江苏太湖新材料技术研发有限公司 2023-08-08 CN claimed
EP-1556417-B1 RACEMOSELECTIVE PREPARATION OF BRIDGED METALLOCENE COMPLEXES HAVING UNSUBSTITUTED OR 2-SUBSTITUTED INDENYL LIGANDS BASELL POLYOLEFINE GMBH (DE) 2009-06-10 EP claimed
US-7358381-B2 Racemoselective preparation of bridged metallocene complexes having unsubstituted or 2-substituted indenyl ligands BASELL POLYOLEFINE GMBH (DE) 2008-04-15 US claimed
EP-1554297-B1 RACEMOSELECTIVE SYNTHESIS OF RAC-DIORGANOSILYLBIS(2-METHYLBENZO¬E|INDEYL) ZIRCONIUM COMPONDS BASELL POLYOLEFINE GMBH (DE) 2006-07-12 EP claimed
US-20060111527-A1 Racemoselective preparation of bridged metallocene complexes having unsubstituted or 2-substituted indenyl ligands EQUISTAR CHEMICALS, LP 2006-05-25 US claimed
EP-1556417-A2 RACEMOSELECTIVE PREPARATION OF BRIDGED METALLOCENE COMPLEXES HAVING UNSUBSTITUTED OR 2-SUBSTITUTED INDENYL LIGANDS Basell Polyolefine GmbH (DE) 2005-07-27 EP claimed
WO-2004037834-A2 RACEMOSELECTIVE PREPARATION OF BRIDGED METALLOCENE COMPLEXES HAVING UNSUBSTITUTED OR 2-SUBSTITUTED INDENYL LIGANDS BASELL POLYOLEFINE GMBH (DE) 2004-05-06 WO claimed
US-5206363-A PROCESS FOR THE RESOLUTION OF ENANTIOMERS OF 5-HETEROARYL-1,3,4-THIADIAZINONES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-04-27 US claimed
EP-0051190-A2 N-(amino(or hydroxy) phenethyl)-1,2,3,4-tetrahydroisoquinolines, precursors thereof, and methods of preparation PENNWALT CORPORATION (US) 1982-05-12 EP claimed
CN-117384217-A Preparation method of composite phosphorus-free water treatment corrosion inhibitor 广东天祺环保科技有限公司 2024-01-12 CN disclosed
CN-117003665-A Synthesis process of N, N-diethyl-2-hydroxy-2-phenylacetamide 百新(北京)药业科技有限责任公司 2023-11-07 CN disclosed
CN-116554940-B Oily corrosion inhibitor and preparation method thereof 江苏太湖新材料控股有限公司 2023-11-03 CN disclosed
CN-116554940-B Oily corrosion inhibitor and preparation method thereof 江苏太湖新材料控股有限公司 2023-11-03 CN disclosed
US-4087527-A ANTIINFLAMMATORY AND ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1978-05-02 US disclosed
US-4075206-A ANTIINFLAMMATORY, ANTITHROMBOTIC ELI LILLY AND COMPANY (US) 1978-02-21 US disclosed
US-4005074-A Process for cleaving an imido side chain from penicillins and cephalosporins ELI LILLY AND COMPANY (US) 1977-01-25 US disclosed
US-4001239-A CEPHALOSPORIN CLEAVAGE PROCESS ELI LILLY AND COMPANY (US) 1977-01-04 US disclosed
US-3994888-A Cephalosporin cleavage process ELI LILLY AND COMPANY (US) 1976-11-30 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-20060111527-A1 Racemoselective preparation of bridged metallocene complexes having unsubstituted or 2-substituted indenyl ligands ITPA, IMPA1, INTS9 ALDH1A1 888/4885CYP3A4 475/4885TSHR 4722/4885

“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.