SCHEMBL123985

SCHEMBL123985

COc1[c]cccc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.48
CA2 P00918 4/20 0.48
CA7 P43166 3/20 0.48
CA9 Q16790 3/20 0.48
CA12 O43570 2/20 0.48
CA14 Q9ULX7 2/20 0.48
CA4 P22748 1/20 0.48
ALDH1A1 P00352 5/20 0.39
TP53 P04637 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
TSHR P16473 1/20 0.39
ADRA2B P18089 1/20 0.39
PTGS1 P23219 1/20 0.39
MAPK1 P28482 2/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL28053410 0.98 CA1 (0.46) CA1CA2CA7CA9CA12
SCHEMBL27272029 0.96 CA1 (0.44) CA1CA2CA7CA9CA12
SCHEMBL16962943 0.81 NPSR1 (0.37) CA1CA2CA7CA9CA12
SCHEMBL10535184 0.81 APP (0.46) CA1CA2CA7CA9CA12
SCHEMBL8775726 0.81 CA1 (0.39) CA1CA2CA7CA9CA12
SCHEMBL16961171 0.81 CA12 (0.34) CA1CA2CA7CA9CA12
SCHEMBL314855 0.81 CA1 (0.39) CA1CA2CA7CA9CA12
SCHEMBL2461793 0.81 ALDH1A1 (0.42) CA1CA2CA7CA9CA12
SCHEMBL1067817 0.80 CA1 (0.38) CA1CA2CA7CA9CA12
SCHEMBL8124424 0.80 ALDH1A1 (0.48) CA1CA2CA7CA9CA12

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

Appears in 9889 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240217995-A1 COMPOSITIONS FOR CHEMICAL SYNTHESIS OF PEPTIDES SEDERMA (FR) 2024-07-04 US claimed
US-12024537-B2 Compositions and methods for chemical synthesis SEDERMA (FR) 2024-07-02 US claimed
CN-118255642-A Asymmetric synthesis method and application of chiral primary amine compound 中国科学院深圳先进技术研究院 2024-06-28 CN claimed
CN-118234704-A Method for producing alkyl acrylate dimer 法国特种经营公司 2024-06-21 CN claimed
CN-118159546-A Bis-aminophosphines as catalysts for dimerization of alkyl acrylates 法国特种经营公司 2024-06-07 CN claimed
WO-2024098464-A1 PREPARATION METHOD FOR OPTICALLY PURE α-ARYL CHIRAL AMINE COMPOUND, AND USE THEREOF 深圳先进技术研究院 2024-05-16 WO claimed
WO-2024102956-A1 KETO-AMIDE-BASED FIBROBLAST ACTIVATION PROTEIN-TARGETED LIGAND LINKED TO AN IMAGING OR THERAPEUTIC AGENT, COMPOSITIONS AND METHODS OF USE PURDUE RESEARCH FOUNDATION (US) 2024-05-16 WO claimed
CN-118026793-A Preparation method and application of optically pure alpha-aryl chiral amine compound 深圳先进技术研究院 2024-05-14 CN claimed
CN-116410227-B Phosphonic acid derivative of carbazole, quantum dot light emitting device and perovskite solar cell 上海辉纳思光电科技有限公司 2024-05-14 CN claimed
CN-117983302-A Catalyst containing ferrocene PNP ligand for ethylene selective tetramerization and preparation method and application thereof 华东理工大学 2024-05-07 CN claimed
US-4058516-A DISAZO DYES SANDOZ LTD. (CH) 1977-11-15 US claimed
US-4044141-A CORONARY DILATING, SPASMOLYTIC, HYPOTENSIVE AGENTS BAYER AKTIENGESELLSCHAFT (DT) 1977-08-23 US claimed
US-4026891-A HYPOTENSIVE AGENTS, ANTITHROMBOTICS, AND CARDIOTONICS BOEHRINGER INGELHEIM GMBH (DT) 1977-05-31 US claimed
US-4024273-A Coronary vasodilator and anti-anginal compositions comprising substituted benzofurans and benzothiophenes and methods of producing coronary vasodilation and anti-anginal activity SMITHKLINE CORPORATION (US) 1977-05-17 US claimed
US-4010162-A Substituted phenanthroline pigments ALLIED CHEMICAL CORPORATION (US) 1977-03-01 US claimed
US-3993646-A Process for the ring expansion of penicillins to cephalosporin compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1976-11-23 US claimed
US-3992377-A 3-Thio-substituted cephalosporin antibiotics ELI LILLY AND COMPANY (US) 1976-11-16 US claimed
US-3950327-A NEW NITRONES, THEIR MANUFACTURE AND THEIR USE FOR THE MANUFACTURE OF N-SUBSTITUTED ARALIPHATIC ALDEHYDE-NITRONES CIBA-GEIGY CORPORATION (US) 1976-04-13 US claimed
US-3948898-A HYPOTENSIVES, SEDATIVES, ANTIARRHYTHMICS, BRADYCARDIACS BOEHRINGER INGELHEIM GMBH (DT) 1976-04-06 US claimed
US-3947470-A CORONARY VASODILATORS, TREATMENT OF ANGINA PECTORIS SMITHKLINE CORPORATION (US) 1976-03-30 US claimed