SCHEMBL83897

SCHEMBL83897

O=C(O)c1c(Cc2c(O)cc3ccccc3c2C(=O)O)c(O)cc2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.61
HSD17B10 Q99714 3/20 0.61
CYP2C19 P33261 2/20 0.61
KDM4E B2RXH2 2/20 0.61
ALDH1A1 P00352 2/20 0.61
GLA P06280 2/20 0.61
HPGD P15428 2/20 0.61
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
GPR35 Q9HC97 2/20 0.57
POLB P06746 1/20 0.57
ME2 P23368 1/20 0.55
ME1 P48163 1/20 0.55
ME3 Q16798 1/20 0.55
CYP3A4 P08684 1/20 0.46
STAT6 P42226 1/20 0.46
HIF1A Q16665 1/20 0.46
CYP2C9 P11712 1/20 0.46
TRPM4 Q8TD43 1/20 0.46
CDC25B P30305 1/20 0.44

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
SCHEMBL3619455 0.86 GPR35 (0.61) CYP1A2HSD17B10CYP2C19KDM4EALDH1A1
SCHEMBL29379734 0.86 GPR35 (0.61) CYP1A2HSD17B10CYP2C19KDM4EALDH1A1
Zinc Ion SCHEMBL2858466 0.83 GPR35 (0.46) CYP1A2HSD17B10CYP2C19KDM4EALDH1A1
SCHEMBL770722 0.82 CYP1A2 (0.70) CYP1A2HSD17B10CYP2C19KDM4EALDH1A1
SCHEMBL29779946 0.80 CYP1A2 (0.68) CYP1A2HSD17B10CYP2C19KDM4EALDH1A1
SCHEMBL88986 0.80 CYP1A2 (0.68) CYP1A2HSD17B10CYP2C19KDM4EALDH1A1
Hydrochloric Acid SCHEMBL11313207 0.79 CYP1A2 (0.66) CYP1A2HSD17B10CYP2C19KDM4EALDH1A1
SCHEMBL6036146 0.77 CYP1A2 (0.63) CYP1A2HSD17B10CYP2C19KDM4EALDH1A1
SCHEMBL28146524 0.77 MEN1 (0.63) CYP1A2HSD17B10CYP2C19KDM4EALDH1A1
SCHEMBL4731723 0.77 ME2 (0.73) CYP1A2HSD17B10CYP2C19KDM4EALDH1A1

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 1921 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2346342-B1 METHOD TO SEPARATE LIPIDS FROM CHEESE WHEY AND FAT-FREE WHEY PROTEIN PRODUCT FORMED THEREBY WISCONSIN ALUMNI RES FOUND (US) 2015-09-09 EP claimed
US-8658649-B2 Kinase inhibitor SANOFI (FR) 2014-02-25 US claimed
EP-2094708-B1 A PYRROLOPYRAZIN AS SYK-KINASE INHIBITOR SANOFI SA (FR) 2013-10-23 EP claimed
US-20100035884-A1 KINASE INHIBITOR SANOFI-AVENTIS (FR) 2010-02-11 US claimed
US-12037327-B2 Compounds and methods targeting GPER for treatment of diseases associated with calcium SAINT LOUIS UNIVERSITY (US) 2024-07-16 US disclosed
US-20240228528-A1 2,2-DIFLUOROPROPIONAMIDE DERIVATIVES OF BARDOXOLONE METHYL, POLYMORPHIC FORMS AND METHODS OF USE THEREOF Reata Pharmaceuticals Holdings, LLC (US) 2024-07-11 US disclosed
CN-118286388-A Application of cyclosporin in treating intestinal radiation injury 中国人民解放军军事科学院军事医学研究院 2024-07-05 CN disclosed
US-20240208984-A1 BIVALENT LIGANDS TO UNDERSTAND DIMERIZATION OF THE MU OPIOID RECEPTOR AND THE CHEMOKINE RECEPTOR CCR5 IN NEUROLOGICAL DISORDERS VIRGINIA COMMONWEALTH UNIVERSITY 2024-06-27 US disclosed
US-12016896-B2 Dipeptidomimetics as inhibitors of human immunoproteasomes CORNELL UNIVERSITY (US) 2024-06-25 US disclosed
US-20240197730-A1 CANCER TREATMENT USING PARP INHIBITORS AND PLK1 INHIBITORS CARDIFF ONCOLOGY, INC. 2024-06-20 US disclosed
EP-3538101-B1 INHIBITORS OF CANCER AND/OR METASTASIS UNIV VIRGINIA COMMONWEALTH (US) 2024-06-19 EP disclosed
EP-4385498-A1 PHARMACEUTICAL PREPARATION, PREPARATION METHOD THEREFOR AND USE THEREOF Coherent Biopharma (Suzhou), Limited (CN) 2024-06-19 EP disclosed
US-5236940-A Administering for treatment of medical conditions associated with the effects of glutamate; glutamate-induced convulsions; schizophrenia; sleep disorders RHONE-POULENC SANTE (FR) 1993-08-17 US disclosed
US-5068238-A Anticonvulsants, schizophrenia, sleep disorders, antiischemia agents and cognition activators RHONE-POULENC SANTE (FR) 1991-11-26 US disclosed
US-5008280-A Treatment of glutamate-induced convulsions, schizophrenia RHONE-POULENC SANTE (FR) 1991-04-16 US disclosed
US-4956362-A Use of carpipramine for the treatment of anxiety and sleep disorders Rhone-Poulenc Sante, a French Body Corporate (FR) 1990-09-11 US disclosed
US-4916119-A IMMUNOSTIMULANT TRIPEPTIDES RHONE-POULENC INDUSTRIES (FR) 1990-04-10 US disclosed
EP-0174833-A2 Triazoloquinoline derivatives MAY & BAKER LIMITED (GB) 1986-03-19 EP disclosed
EP-0174832-A2 Ethene derivatives MAY & BAKER LIMITED (GB) 1986-03-19 EP disclosed
US-4000306-A Anti-arrhythmic compositions containing isoindoline derivatives RHONE-POULENC S.A. (FR) 1976-12-28 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 (6 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-20240197730-A1 CANCER TREATMENT USING PARP INHIBITORS AND PLK1 INHIBITORS PLK1, PLK2, CHEK1 CYP1A2 4333/4885HSD17B10 3372/4885CYP2C19 2500/4885
US-20240228528-A1 2,2-DIFLUOROPROPIONAMIDE DERIVATIVES OF BARDOXOLONE METHYL, POLYMORPHIC FORMS AND METHODS OF USE THEREOF CYP2A13, CYP4B1, CYP4A22 CYP1A2 36/4885HSD17B10 348/4885CYP2C19 35/4885
US-20100035884-A1 KINASE INHIBITOR MAP3K1, MAP3K20, MAP3K19 CYP1A2 1027/4885HSD17B10 2075/4885CYP2C19 685/4885
US-20240208984-A1 BIVALENT LIGANDS TO UNDERSTAND DIMERIZATION OF THE MU OPIOID RECEPTOR AND THE CHEMOKINE RECEPTOR CCR5 IN NEUROLOGICAL DISORDERS OPRM1, OPRK1, CCR5 CYP1A2 1252/4885HSD17B10 1528/4885CYP2C19 2166/4885
US-12037327-B2 Compounds and methods targeting GPER for treatment of diseases associated with calcium GPER1, GPBAR1, GRPR CYP1A2 1828/4885HSD17B10 1671/4885CYP2C19 2716/4885
US-12016896-B2 Dipeptidomimetics as inhibitors of human immunoproteasomes PREP, CTSC, DNPEP CYP1A2 2755/4885HSD17B10 3798/4885CYP2C19 2331/4885

“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.