SCHEMBL3973022

SCHEMBL3973022

CC1(c2ccccc2)OC1c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.40
CHRM4 P08173 2/20 0.40
CHRM5 P08912 2/20 0.40
CHRM1 P11229 2/20 0.40
CHRM3 P20309 2/20 0.40
KDM1A O60341 10/20 0.38
MAOA P21397 10/20 0.38
MAOB P27338 10/20 0.38
PTGS2 P35354 1/20 0.38
CYP3A4 P08684 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL7107611 1.00 CHRM2 (0.40) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL3827297 0.88 ALDH1A1 (0.45) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL3827300 0.88 ALDH1A1 (0.45) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL13567837 0.88 ALDH1A1 (0.45) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL3831912 0.88 NPSR1 (0.41) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL3831911 0.88 NPSR1 (0.41) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL13567853 0.88 NPSR1 (0.41) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL19707969 0.84 CHRNA1 (0.39) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL6980981 0.81 ALDH1A1 (0.46)
SCHEMBL6980984 0.81 ALDH1A1 (0.46)

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-20220202744-A1 METHODS OF TREATING MENTAL DISORDERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2022-06-30 US disclosed
US-20190134005-A1 CERAMIDE GALACTOSYLTRANSFERASE INHIBITORS FOR THE TREATMENT OF DISEASE BIOMARIN PHARM INC (US) 2019-05-09 US disclosed
US-20090221816-A1 Process for the Asymmetric Epoxidation of Olefins LANXESS DEUTSCHLAND GMBH (DE) 2009-09-03 US disclosed
US-7544819-B2 Process for the asymmetric epoxidation of olefins LANXESS DEUTSCHLAND GMBH (DE) 2009-06-09 US disclosed
CN-101208322-A Improved synthesis of substituted 1-halomethyl-2-phenyl-1-phenyl oxirane MAKHTESHIM CHEM WORKS LTD (IL) 2008-06-25 CN disclosed
EP-1683791-B1 Process for the epoxidation of olefins with hydrogen peroxide by ruthenium complex catalysed reaction SALTIGO GMBH (DE) 2008-04-02 EP disclosed
CN-1817871-A Process for the ruthenium-catalyzed epoxidation of olefins with the aid of hydrogen peroxide LANXESS DEUTSCHLAND GMBH (DE) 2006-08-16 CN disclosed
EP-1683791-A1 Process for the epoxidation of olefins with hydrogen peroxide by ruthenium complex catalysed reaction Lanxess Deutschland GmbH (DE) 2006-07-26 EP disclosed
US-20060161011-A1 Process for the ruthenium-catalysed epoxidation of olefins by means of hydrogen peroxide LANXESS DEUTSCHLAND GMBH (DE) 2006-07-20 US disclosed
US-20050203303-A1 Process for the asymmetric epoxidation of olefins LANXESS DEUTSCHLAND GMBH (DE) 2005-09-15 US disclosed
EP-1021426-B1 CATALYTIC ASYMMETRIC EPOXIDATION UNIV COLORADO STATE RES FOUND (US) 2003-09-17 EP disclosed
US-6348608-B1 ADDING OXIDIZING AGENT TO REACTION SOLUTION COMPRISING CHIRAL CYCLIC ENANTIOMERICALLY ENRICHED KETONE AND OLEFIN UNDER CONDITIONS EFFECTIVE TO GENERATE ENANTIOMERICALLY ENRICHED EPOXIDE, SEPARATING EPOXIDE FROM REACTION SOLUTION COLORADO STATE UNIVERSITY RESEARCH FOUNDATION 2002-02-19 US disclosed
US-6214458-B1 Image recording sheet comprising a white particle resin layer FUJI PHOTO FILM CO., LTD. (JP) 2001-04-10 US disclosed
EP-1021426-A1 CATALYTIC ASYMMETRIC EPOXIDATION COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2000-07-26 EP disclosed
EP-1021426-A4 CATALYTIC ASYMMETRIC EPOXIDATION UNIV COLORADO STATE RES FOUND (US) 2000-07-26 EP disclosed
WO-1998015544-A1 CATALYTIC ASYMMETRIC EPOXIDATION COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 1998-04-16 WO disclosed
US-4186255-A POLYURETHANE CATALYST TEXACO DEVELOPMENT CORPORATION (US) 1980-01-29 US disclosed
US-4136240-A METALLIC QUATERNARY AMMONIUM CARBOXYLATES AS POLYISOCYANURATE CATALYSTS TEXACO DEVELOPMENT CORPORATION (US) 1979-01-23 US disclosed
US-4075130-A DIAMINES, TRIAMINES TEXACO DEVELOPMENT CORPORATION (US) 1978-02-21 US disclosed
US-4060501-A Novolak derivatives as defoamers TEXACO DEVELOPMENT CORPORATION (US) 1977-11-29 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 (5 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-20050203303-A1 Process for the asymmetric epoxidation of olefins DUOX1, DUOX2, PPOX CHRM2 4299/4885CHRM4 3307/4885CHRM5 3862/4885
US-20220202744-A1 METHODS OF TREATING MENTAL DISORDERS FAAH, EPHX1, FAAH2 CHRM2 508/4885CHRM4 306/4885CHRM5 288/4885
US-20090221816-A1 Process for the Asymmetric Epoxidation of Olefins DUOX1, DUOX2, PPOX CHRM2 4299/4885CHRM4 3307/4885CHRM5 3862/4885
US-20060161011-A1 Process for the ruthenium-catalysed epoxidation of olefins by means of hydrogen peroxide PPOX, HAO2, GPX4 CHRM2 4173/4885CHRM4 2561/4885CHRM5 3177/4885
US-20190134005-A1 CERAMIDE GALACTOSYLTRANSFERASE INHIBITORS FOR THE TREATMENT OF DISEASE UGCG, MAN2B1, GBA1 CHRM2 3635/4885CHRM4 4072/4885CHRM5 4008/4885

“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.