SCHEMBL2477063

SCHEMBL2477063

Cc1cc(C(C)(C)C)cc(C=O)c1O

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 11/20 0.52
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 1/20 0.44
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.37
CYP2D6 P10635 1/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36

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
SCHEMBL419690 0.90 ERN1 (0.58) ERN1SMN1; SMN2KDM4EMEN1USP2
SCHEMBL28311710 0.84 ERN1 (0.47) ERN1SMN1; SMN2KDM4EMEN1USP2
SCHEMBL12813802 0.84 ERN1 (0.47) ERN1SMN1; SMN2KDM4EMEN1USP2
SCHEMBL29785434 0.84 ERN1 (0.47) ERN1SMN1; SMN2KDM4EMEN1USP2
SCHEMBL24236790 0.82 ERN1 (0.50) ERN1
SCHEMBL29467330 0.82 ALOX5 (0.49) ERN1SMN1; SMN2KDM4EMEN1USP2
SCHEMBL187267 0.82 ALOX5 (0.49) ERN1SMN1; SMN2KDM4EMEN1USP2
SCHEMBL29467329 0.82 ALOX5 (0.49) ERN1SMN1; SMN2KDM4EMEN1USP2
SCHEMBL10977200 0.82 ERN1 (0.46) ERN1SMN1; SMN2USP2LMNAMAPT
SCHEMBL875823 0.81 ERN1 (0.58) ERN1SMN1; SMN2KDM4EMEN1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507717-B2 Production of substituted phenylene aromatic diesters DOW GLOBAL TECHNOLOGIES LLC (US) 2013-08-13 US claimed
EP-2373604-A2 PRODUCTION OF SUBSTITUTED PHENYLENE AROMATIC DIESTERS Dow Global Technologies LLC (US) 2011-10-12 EP claimed
WO-2010078512-A2 PRODUCTION OF SUBSTITUTED PHENYLENE AROMATIC DIESTERS DOW GLOBAL TECHNOLOGIES INC. (US) 2010-07-08 WO claimed
US-20100174105-A1 Production of Substituted Phenylene Aromatic Diesters W.R. GRACE & CO.-CONN. 2010-07-08 US claimed
US-11260379-B2 Catalysts and methods for epoxide-based polymerizations CORNELL UNIVERSITY (US) 2022-03-01 US disclosed
US-20200384450-A1 CATALYSTS AND METHODS FOR EPOXIDE-BASED POLYMERIZATIONS CORNELL UNIVERSITY 2020-12-10 US disclosed
US-20200384450-A1 CATALYSTS AND METHODS FOR EPOXIDE-BASED POLYMERIZATIONS CORNELL UNIVERSITY 2020-12-10 US disclosed
US-20200339502-A1 COMPOUNDS FOR USE IN THE ELIMINATION OF PLURIPOTENT STEM CELLS UNIVERSITÄT ZU KÖLN (DE) 2020-10-29 US disclosed
US-9795549-B2 1,2-alkane polyol-containing composition OSAKA ORGANIC CHEMICAL INDUSTRY LTD. (JP) 2017-10-24 US disclosed
US-20160045414-A1 1,2-ALKANE POLYOL-CONTAINING COMPOSITION OSAKA ORGANIC CHEMICAL INDUSTRY LTD. (JP) 2016-02-18 US disclosed
EP-2985017-A1 1,2-ALKANE POLYOL-CONTAINING COMPOSITION Osaka Organic Chemical Ind., Ltd. (JP) 2016-02-17 EP disclosed
US-8946438-B2 Benzamides, production thereof, and use thereof as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-03 US disclosed
WO-1995021172-A1 PROCESS FOR EPOXIDISING PROCHIRAL OLEFINS AND A CATALYST THEREFOR AND INTERMEDIATES FOR MAKING THE CATALYST SMITHKLINE BEECHAM P.L.C. (GB) 1995-08-10 WO disclosed
US-4436659-A DYEING POLYAMIDS, AZO DYES CIBA-GEIGY CORPORATION (US) 1984-03-13 US disclosed
US-4318849-A COPPER, NICKEL, CHROMIUM OR COBALT COMPLEXES OF AZO OR AZO-METHINE DYES CIBA-GEIGY CORPORATION (US) 1982-03-09 US disclosed
US-4312887-A 2-Hydroxylaminomethyl phenols ABBOTT LABORATORIES (US) 1982-01-26 US disclosed
US-4273940-A ANTIINFLAMMATORY AGENTS ABBOTT LABORATORIES (US) 1981-06-16 US disclosed
US-4215042-A PRINTING AND DYEING OF POLYAMIDES; COLORFASTNESS CIBA-GEIGY CORPORATION (US) 1980-07-29 US disclosed
EP-0011654-A1 Nuclear substituted 2-hydroxymethane-sulfamic acids and pharmaceutical compositions MERCK & CO. INC. (US) 1980-06-11 EP disclosed
US-4159279-A SALURETIC-DIURETICS, DERMATOLOGICAL DISORDERS, ANTIINFLAMMATORY AGENTS MERCK & CO., INC. (US) 1979-06-26 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 (2 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-20100174105-A1 Production of Substituted Phenylene Aromatic Diesters DDT, COMT, DDC ERN1 1972/4885SMN1; SMN2 4239/4885KDM4E 113/4885
US-20200339502-A1 COMPOUNDS FOR USE IN THE ELIMINATION OF PLURIPOTENT STEM CELLS ALPG, RARB, RARG ERN1 3405/4885SMN1; SMN2 1033/4885KDM4E 1907/4885

“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.