SCHEMBL15002985

SCHEMBL15002985

CCc1cc(C(C)(C)C)cc(C(CC)(CC)CC)c1OC

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RARG P13631 2/20 0.33
RXRA P19793 2/20 0.33
PPARG P37231 2/20 0.33
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
CYP2C19 P33261 1/20 0.32
PTGS2 P35354 1/20 0.32
HTT P42858 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ELANE P08246 1/20 0.30
CD69 Q07108 1/20 0.30

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
SCHEMBL13368066 0.88 RXRA (0.40) RARGRXRAPPARGCYP2C19PTGS2
SCHEMBL18088898 0.87 RARG (0.40) RARGRXRAPPARGESR1ESR2
SCHEMBL14999403 0.85 RARG (0.33) RARGRXRAPPARGCYP2C19PTGS2
SCHEMBL14999487 0.84 PTGS2 (0.39) ESR1ESR2CYP2C19PTGS2HTT
SCHEMBL13452244 0.79 DHFR (0.41) RXRACYP2C19PTGS2ELANECD69
SCHEMBL14999407 0.78 CYP3A4 (0.37) RARGRXRAPPARGESR1ESR2
SCHEMBL15249007 0.77 PTGS2 (0.47) CYP2C19PTGS2HTTL3MBTL1
SCHEMBL17072151 0.77 ALDH1A1 (0.36) RARGRXRAPPARGPTGS2
SCHEMBL18465079 0.76 RARG (0.33) RARGRXRAPPARG
SCHEMBL14612535 0.76 POLB (0.35) CYP2C19PTGS2ELANECD69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160272761-A1 CATALYSTS AND METHODS FOR POLYMER SYNTHESIS SAUDI ARAMCO TECHNOLOGIES COMPANY (SA) 2016-09-22 US disclosed
US-9403861-B2 Salen complexes with dianionic counterions NOVOMER, INC. (US) 2016-08-02 US disclosed
US-9327280-B2 Catalytic carbonylation catalysts and methods NOVOMER, INC. (US) 2016-05-03 US disclosed
US-20150368394-A1 CATALYSTS AND METHODS FOR POLYESTER PRODUCTION NOVOMER, INC. 2015-12-24 US disclosed
US-8946109-B2 Catalysts and methods for polymer synthesis NOVOMER, INC. (US) 2015-02-03 US disclosed
US-20140336354-A1 SALEN COMPLEXES WITH DIANIONIC COUNTERIONS SAUDI ARAMCO TECHNOLOGIES COMPANY (SA) 2014-11-13 US disclosed
US-20140296522-A1 CATALYTIC CARBONYLATION CATALYSTS AND METHODS Novomer, Inc (US) 2014-10-02 US disclosed
US-20130144032-A1 CATALYSTS AND METHODS FOR POLYMER SYNTHESIS NOVOMER, INC. (US) 2013-06-06 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 (4 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-20140296522-A1 CATALYTIC CARBONYLATION CATALYSTS AND METHODS CBR3, CBR1, EPHX2 RARG 2594/4885RXRA 3331/4885PPARG 2682/4885
US-20140336354-A1 SALEN COMPLEXES WITH DIANIONIC COUNTERIONS NCLN, POLN, NCL RARG 3233/4885RXRA 3363/4885PPARG 3268/4885
US-20130144032-A1 CATALYSTS AND METHODS FOR POLYMER SYNTHESIS PPOX, COASY, SOD1 RARG 3178/4885RXRA 2979/4885PPARG 2858/4885
US-20160272761-A1 CATALYSTS AND METHODS FOR POLYMER SYNTHESIS PPOX, COASY, SOD1 RARG 3178/4885RXRA 2979/4885PPARG 2858/4885

“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.