SCHEMBL3971547

SCHEMBL3971547

c1ccc(C2OC2(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.49
CHRM4 P08173 2/20 0.49
CHRM5 P08912 2/20 0.49
CHRM1 P11229 2/20 0.49
CHRM3 P20309 2/20 0.49
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
ALOX12 P18054 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
SAE1 Q9UBE0 1/20 0.44
UBA2 Q9UBT2 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PTGS2 P35354 1/20 0.40
KDM1A O60341 8/20 0.38
MAOA P21397 8/20 0.38
MAOB P27338 8/20 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
SCHEMBL7108506 1.00 CHRM2 (0.49) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL31337060 0.86 KDM1A (0.45) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL19809223 0.86 CHRM2 (0.43) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL14297804 0.81 CHRM2 (0.40) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL19809197 0.81 CHRM2 (0.43) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL19809362 0.78 CHRM2 (0.42) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL760882 0.77 KDM1A (0.41) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL6129709 0.75 CHRM2 (0.40) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL63455 0.75 CHRM2 (0.40) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7999869 0.74 ALDH1A1 (0.77) KDM4EALDH1A1LMNAMAPTALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113728137-B Aqueous solution of treating agent for synthetic fibers and method for producing synthetic fibers 竹本油脂株式会社 2022-07-22 CN disclosed
CN-111607343-B Conductive water-based pressure-sensitive adhesive and preparation method thereof 上海宗特化工有限公司 2022-02-08 CN disclosed
CN-111607343-A Conductive water-based pressure-sensitive adhesive and preparation method thereof 上海宗特化工有限公司 2020-09-01 CN disclosed
US-20150094463-A1 HYDROXYALKYLATED POLYROTAXANE PRODUCTION METHOD UBE INDUSTRIES, LTD. (JP) 2015-04-02 US disclosed
EP-2832750-A1 PROCESS FOR PRODUCING HYDROXYALKYLATED POLYROTAXANE Ube Industries, Ltd. (JP) 2015-02-04 EP 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
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
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

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-20050203303-A1 Process for the asymmetric epoxidation of olefins DUOX1, DUOX2, PPOX CHRM2 4299/4885CHRM4 3307/4885CHRM5 3862/4885
US-20090221816-A1 Process for the Asymmetric Epoxidation of Olefins DUOX1, DUOX2, PPOX CHRM2 4299/4885CHRM4 3307/4885CHRM5 3862/4885

“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.