SCHEMBL339284

SCHEMBL339284

Cc1ccc(C(O)(C(=O)O)C(O)(C(=O)O)c2ccc(C)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TSHR P16473 1/20 0.44
GAA P10253 1/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
MAPT P10636 2/20 0.42
CES2 O00748 2/20 0.42
CES1 P23141 2/20 0.42
LMNA P02545 1/20 0.42
SRD5A2 P31213 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2D6 P10635 1/20 0.41
HIF1A Q16665 1/20 0.41
CYP19A1 P11511 1/20 0.41
CA2 P00918 1/20 0.41
KIF11 P52732 3/20 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
SCHEMBL29229419 1.00 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2TSHRGAANPC1
SCHEMBL31097913 1.00 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2TSHRGAANPC1
SCHEMBL2695436 1.00 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2TSHRGAANPC1
SCHEMBL2696567 1.00 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2TSHRGAANPC1
Water SCHEMBL6653863 0.98 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2TSHRGAANPC1
SCHEMBL27510642 0.90 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2TSHRGAANPC1
SCHEMBL3615410 0.87 CA2 (0.48) ALDH1A1SMN1; SMN2TSHRNPC1RAB9A
SCHEMBL71815 0.81 CYP2C9 (0.61) ALDH1A1SMN1; SMN2TSHRGAANPC1
SCHEMBL11529757 0.81 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2TSHRGAANPC1
SCHEMBL2207056 0.81 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2TSHRGAANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250230160-A1 PROCESS FOR THE PREPARATION OF 4-((6BR,10AS)-3-METHYL-2,3,6B,9,10,10A-HEXAHYDRO-1H,7H-PYRIDO[3',4':4,5]PYRROLO[1,2,3-DE]QUINOXALIN-8-YL)-1-(4-FLUORO-PHENYL)-BUTAN-1-ONE AND INTERMEDIATES THEREOF MSN LABORATORIES PRIVATE LIMITED, R&D CENTER (IN) 2025-07-17 US claimed
CN-118702588-A Preparation method of ilast and intermediate thereof 重庆华邦胜凯制药有限公司 2024-09-27 CN claimed
CN-118420658-B Preparation method of chiral triazine compound 天津辰欣药物研究有限公司 2024-09-20 CN claimed
CN-118420658-A Preparation method of chiral triazine compound 天津辰欣药物研究有限公司 2024-08-02 CN claimed
CN-114698375-B Process for preparing 2-cyanoethyl (4S) -4- (4-cyano-2-methoxyphenyl) -5-ethoxy-2, 8-dimethyl-1, 4-dihydro-1, 6-naphthyridine-3-carboxylate 拜耳公司 2024-08-02 CN claimed
US-20240199599-A1 PROCESS FOR THE PREPARATION OF 2-CYANOETHYL (4S)-4-(4-CYANO-2-METHOXY-PHENYL)-5-ETHOXY-2,8-DIMETHYL-1,4-DIHYDRO-1,6-NAPHTHYRIDINE-3-CARBOXYLATE BY RESOLUTION OF RACEMATES BY MEANS OF DIASTEREOMERIC TARTARIC ACID ESTERS BAYER AKTIENGESELLSCHAFT (DE) 2024-06-20 US claimed
EP-3122708-B1 AN IMPROVED PROCESS FOR THE PREPARATION OF EXAMETAZIME JUBILANT GENERICS LTD (IN) 2024-06-12 EP claimed
CN-117964625-A Preparation method of high-optical-purity ponatinib intermediate 安徽万邦医药科技股份有限公司 2024-05-03 CN claimed
WO-2023195027-A1 PROCESS FOR THE PREPARATION OF 4-((6BR,10AS)-3-METHYL-2,3,6B,9,10,10A-HEXAHYDRO-1H,7H-PYRIDO[3',4':4,5]PYRROLO[1,2,3-DE]QUINOXALIN-8-YL)-1-(4-FLUORO-PHENYL)-BUTAN-1-ONE AND INTERMEDIATES THEREOF MSN LABORATORIES PRIVATE LIMITED, R&D CENTER (IN) 2023-10-12 WO claimed
WO-2022157633-A1 ENANTIOMERICALLY PURE DESGLYMIDODRINE AND PROCESS FOR PREPARATION THEREOF CADILA HEALTHCARE LIMITED (IN) 2022-07-28 WO claimed
US-7109353-B2 Process for preparing 5,6-dihydro-4-(S)-(ethylamino)-6-(S) methyl-4H-thieno[2,3b]thiopyran-2-sulphonamide-7,7-dioxide HCl COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2006-09-19 US claimed
US-20060142595-A1 Process for preparing 5,6-dihydro-4-(S)-(ethylamino)-6-(S) methyl-4H-thieno[2,3b]thiopyran-2-sulphonamide-7,7-dioxide HCI COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH 2006-06-29 US claimed
CN-1575282-A Lactam compound LILLY CO ELI (US) 2005-02-02 CN claimed
US-20040248878-A1 Lactam compound KOENIG THOMAS MITCHELL (US) 2004-12-09 US claimed
EP-1353910-A2 LACTAM COMPOUND ELI LILLY AND COMPANY (US) 2003-10-22 EP claimed
WO-2002040451-A2 LACTAM COMPOUND ELI LILLY AND COMPANY (US) 2002-05-23 WO claimed
US-5948487-A Anisotropic retardation layers for display devices 3M INNOVATIVE PROPERTIES COMPANY (US) 1999-09-07 US claimed
EP-0530335-B1 DIPHOSPHONIC ACID DERIVATES AS INTERMEDIATES FOR THE PRODUCTION OF DIPHOSPHINE LIGANDS HOFFMANN LA ROCHE (CH) 1996-08-14 EP claimed
US-5326782-A Salts derived from 26-(dialkylaminoalkylsulphonyl)pristinamycin IIB RHONE-POULENC RORER S.A. (FR) 1994-07-05 US claimed
US-4458084-A Cyclopentene derivatives THE UPJOHN COMPANY (US) 1984-07-03 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 (4 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-20250230160-A1 PROCESS FOR THE PREPARATION OF 4-((6BR,10AS)-3-METHYL-2,3,6B,9,10,10A-HEXAHYDRO-1H,7H-PYRIDO[3',4':4,5]PYRROLO[1,2,3-DE]QUINOXALIN-8-YL)-1-(4-FLUORO-PHENYL)-BUTAN-1-ONE AND INTERMEDIATES THEREOF CYP1B1, CYP4B1, CYP7A1 ALDH1A1 116/4885SMN1; SMN2 1382/4885TSHR 2488/4885
US-20040248878-A1 Lactam compound AAAS, CHLSN, APH1B ALDH1A1 1677/4885SMN1; SMN2 2842/4885TSHR 4757/4885
US-20060142595-A1 Process for preparing 5,6-dihydro-4-(S)-(ethylamino)-6-(S) methyl-4H-thieno[2,3b]thiopyran-2-sulphonamide-7,7-dioxide HCI CA7, CYP3A7, CA2 ALDH1A1 1072/4885SMN1; SMN2 3053/4885TSHR 1823/4885
US-20240199599-A1 PROCESS FOR THE PREPARATION OF 2-CYANOETHYL (4S)-4-(4-CYANO-2-METHOXY-PHENYL)-5-ETHOXY-2,8-DIMETHYL-1,4-DIHYDRO-1,6-NAPHTHYRIDINE-3-CARBOXYLATE BY RESOLUTION OF RACEMATES BY MEANS OF DIASTEREOMERIC TARTARIC ACID ESTERS MVD, VARS1, CYP4B1 ALDH1A1 1009/4885SMN1; SMN2 3272/4885TSHR 1322/4885

“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.