SCHEMBL6294086

SCHEMBL6294086

Cc1cc(C)c(-c2ccccc2-c2ccccc2)c(C)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.41
PDCD1 Q15116 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
CYP2A6 P11509 2/20 0.39
CYP2B6 P20813 1/20 0.39
ALDH1A1 P00352 7/20 0.39
MAPT P10636 4/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
PKM P14618 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
PTGS2 P35354 1/20 0.37
BACE1 P56817 1/20 0.37
SQOR Q9Y6N5 1/20 0.36
HSD17B10 Q99714 2/20 0.35
HPGD P15428 1/20 0.35
BCL2L1 Q07817 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL27849783 0.83 BACE1 (0.47) ESR2PDCD1CD274CYP2A6CYP2B6
SCHEMBL5951481 0.83 MAPT (0.44) ESR2CYP2A6CYP2B6ALDH1A1MAPT
SCHEMBL2558217 0.79 LMNA (0.47) ESR2PDCD1CD274CYP2A6CYP2B6
SCHEMBL4651266 0.79 ESR2 (0.44) ESR2PDCD1CD274CYP2A6CYP2B6
SCHEMBL4651268 0.79 ALDH1A1 (0.43) ESR2PDCD1CD274CYP2A6CYP2B6
SCHEMBL29027489 0.78 ESR2 (0.42) ESR2PDCD1CD274CYP2A6CYP2B6
SCHEMBL29629488 0.78 LMNA (0.46) ESR2PDCD1CD274CYP2A6CYP2B6
Hydrogen Sulfide SCHEMBL27610664 0.78 LMNA (0.46) ESR2PDCD1CD274CYP2A6CYP2B6
SCHEMBL3362430 0.76 ALDH1A1 (0.41) ESR2PDCD1CD274CYP2A6CYP2B6
SCHEMBL6838773 0.75 ESR2 (0.44) ESR2PDCD1CD274CYP2A6CYP2B6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108008600-B Radiation-sensitive composition 三菱瓦斯化学株式会社 2021-02-09 CN disclosed
CN-101445518-B Preparation method of phosphine ligand SHANGHAI RECORD PHARMACEUTICALS CO LTD 2012-09-05 CN disclosed
CN-101747125-B Methods for preparing biaryl compound and diolefin compound CHANGCHUN APPLIED CHEMISTRY 2012-09-05 CN disclosed
CN-101747125-A Methods for preparing biaryl compound and diolefin compound CHANGCHUN APPLIED CHEMISTRY 2010-06-23 CN disclosed
CN-101445518-A Preparation method of phosphine ligand and method for phosphine ligand to catalyze and synthetize biaryl and derivatives thereof SHANGHAI RECORD PHARMACEUTICAL (CN) 2009-06-03 CN disclosed
US-6914119-B2 Heat-resistant polyether, curable polyether, and coating liquid for forming a polyether film SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-07-05 US disclosed
US-20030060591-A1 Heat-resistant polyether, curable polyether, and coating liquid for forming a polyether film SUMITOMO CHEMICAL COMPANY, LIMITED 2003-03-27 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 (1 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-20030060591-A1 Heat-resistant polyether, curable polyether, and coating liquid for forming a polyether film HEATR1, HSP90AA1, HEATR6 ESR2 755/4885PDCD1 2742/4885CD274 1317/4885

“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.