SCHEMBL3034308

SCHEMBL3034308

CC1=C(C(=O)O)C(c2ccccc2Cl)C(C(=O)O)=C(C)N1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
HSD17B10 Q99714 5/20 0.48
TSHR P16473 4/20 0.48
CYP2C9 P11712 3/20 0.48
KDM4E B2RXH2 3/20 0.48
HPGD P15428 3/20 0.48
TBXA2R P21731 3/20 0.48
ADRA1A P35348 3/20 0.48
SLC6A3 Q01959 3/20 0.48
MAPT P10636 3/20 0.48
MEN1 O00255 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2C19 P33261 2/20 0.48
KMT2A Q03164 2/20 0.48
HIF1A Q16665 2/20 0.48
GAA P10253 2/20 0.48
ABCB11 O95342 2/20 0.48
ABCB1 P08183 2/20 0.48
ADORA3 P0DMS8 2/20 0.48

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
SCHEMBL3026759 0.90 KDM4E (0.62) ALDH1A1HSD17B10TSHRCYP2C9KDM4E
SCHEMBL7273568 0.88 CYP2C9 (0.67) ALDH1A1HSD17B10TSHRCYP2C9KDM4E
SCHEMBL29808895 0.87 TSHR (0.62) ALDH1A1HSD17B10TSHRCYP2C9KDM4E
SCHEMBL2563899 0.87 TSHR (0.62) ALDH1A1HSD17B10TSHRCYP2C9KDM4E
SCHEMBL7266025 0.87 ALDH1A1 (0.51) ALDH1A1HSD17B10TSHRCYP2C9KDM4E
SCHEMBL7265615 0.87 ALDH1A1 (0.43) ALDH1A1HSD17B10TSHRCYP2C9KDM4E
SCHEMBL7272409 0.87 ALDH1A1 (0.43) ALDH1A1HSD17B10TSHRCYP2C9KDM4E
SCHEMBL3016302 0.87 ALDH1A1 (0.62) ALDH1A1HSD17B10TSHRCYP2C9KDM4E
SCHEMBL7267980 0.87 PYGL (0.61) CYP2C9KDM4ETBXA2RSLC6A3MAPT
SCHEMBL10663333 0.86 ALDH1A1 (0.43) ALDH1A1HSD17B10TSHRCYP2C9KDM4E

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4537898-A WITH POLYOXYETHYLENE GLYCOL DERIVATIVES AS SOLUBILIZERS BAYER AKTIENGESELLSCHAFT (DE) 1985-08-27 US claimed
US-4510310-A 1,4-Dihydro-2,6-dimethyl-4-(2'-chlorophenyl)-3,5-dicarboxylic acid,methyl or ethyl,trifluoroethyl ester BAYER AKTIENGESELLSCHAFT (DE) 1985-04-09 US claimed
US-20230210830-A1 STABLE PHARMACEUTICAL COMPOSITION OF NIMODIPINE ALKEM LABORATORIES LIMITED (IN) 2023-07-06 US disclosed
CN-114516774-A Preparation method of chiral bromo-1, 4-dihydropyridine compound 中国科学院成都生物研究所 2022-05-20 CN disclosed
US-20100216784-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds MULLAN MICHAEL J 2010-08-26 US disclosed
US-20100215735-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds MULLAN MICHAEL J 2010-08-26 US disclosed
US-20080058330-A1 Compounds and Combinations Thereof for Inhibiting Beta-Amyloid Production and Methods of Use Thereof ROSKAMP RESEARCH LLC (US) 2008-03-06 US disclosed
EP-1858325-A2 COMPOUNDS FOR INHIBITING BETA-AMYLOID PRODUCTION AND METHODS OF IDENTIFYING THE COMPOUNDS Roskamp Research LLC (US) 2007-11-28 EP disclosed
US-20070191409-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ROSKAMP RESEARCH LLC 2007-08-16 US disclosed
US-20070185130-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ROSKAMP RESEARCH LLC 2007-08-09 US disclosed
US-20070037855-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ALZHEIMER'S INSTITUTE OF AMERICA, INC. 2007-02-15 US disclosed
US-20060188938-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ARCHER PHARMACEUTICALS, INC. 2006-08-24 US disclosed
WO-2006074419-A2 COMPOUNDS FOR INHIBITING BETA-AMYLOID PRODUCTION AND METHODS OF IDENTIFYING THE COMPOUNDS ROSKAMP RESEARCH LLC (US) 2006-07-13 WO disclosed
CN-1089337-C 1, 4-dihydropyridine derivatives MERCIAN CORP (JP) 2002-08-21 CN disclosed
EP-0779277-B1 1,4-DIHYDROPYRIDINE DERIVATIVE MERCIAN CORP (JP) 2002-07-10 EP disclosed
US-5760238-A ANTIISCHEMIC AGENTS MERCIAN CORPORATION (JP) 1998-06-02 US disclosed
CN-1156450-A 1,4-dihydropyridine derivatives MERCIAN CORP (JP) 1997-08-06 CN disclosed
US-4818766-A ANTIARRHYTHMIA AGENTS, HYPOTENSIVE AGENTS, TREATMENT OF ANGINA CIBA-GEIGY CORPORATION (US) 1989-04-04 US disclosed
EP-0088903-B1 1,4-DIHYDROPYRIDINE-3,5-DICARBOXYLIC ACID ESTER DERIVATIVES Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1988-11-23 EP disclosed
EP-0094159-A1 Dihydropyridine derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1983-11-16 EP 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 (8 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-20080058330-A1 Compounds and Combinations Thereof for Inhibiting Beta-Amyloid Production and Methods of Use Thereof APP, PSEN1, PSEN2 ALDH1A1 3749/4885HSD17B10 3277/4885TSHR 4437/4885
US-20070191409-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 ALDH1A1 3939/4885HSD17B10 2623/4885TSHR 4253/4885
US-20070185130-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 ALDH1A1 3939/4885HSD17B10 2623/4885TSHR 4253/4885
US-20070037855-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 ALDH1A1 3939/4885HSD17B10 2623/4885TSHR 4253/4885
US-20100216784-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds APP, PSEN1, PSEN2 ALDH1A1 3939/4885HSD17B10 2623/4885TSHR 4253/4885
US-20060188938-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 ALDH1A1 3939/4885HSD17B10 2623/4885TSHR 4253/4885
US-20230210830-A1 STABLE PHARMACEUTICAL COMPOSITION OF NIMODIPINE AQP1, CACNA1B, TRPV1 ALDH1A1 2577/4885HSD17B10 1664/4885TSHR 4766/4885
US-20100215735-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds APP, PSEN1, PSEN2 ALDH1A1 3939/4885HSD17B10 2623/4885TSHR 4253/4885

“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.