SCHEMBL862834

SCHEMBL862834

CCCCCCCCOc1cc(/C=C/c2cc(OC)c(/C=C/c3cc(OCCCCCCCC)c(C)cc3OCCCCCCCC)cc2OC)c(OCCCCCCCC)cc1C

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 4/20 0.40
ESR1 P03372 2/20 0.40
HMGCR P04035 1/20 0.39
CYP3A4 P08684 1/20 0.39
THRA P10827 3/20 0.38
THRB P10828 3/20 0.38
CYP1A1 P04798 3/20 0.37
CYP1B1 Q16678 3/20 0.37
CYP1A2 P05177 2/20 0.37
NFE2L2 Q16236 1/20 0.37
ALOX5 P09917 1/20 0.37
PDE4B Q07343 1/20 0.37

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
SCHEMBL862619 0.95 SMPD1 (0.41) SMPD1ESR1THRATHRBALOX5
SCHEMBL12252238 0.94 ESR1 (0.43) ESR1CYP3A4THRATHRB
SCHEMBL862517 0.94 ESR1 (0.43) ESR1CYP3A4THRATHRB
SCHEMBL10153565 0.93 SMPD1 (0.36) SMPD1ESR1HMGCRCYP3A4THRA
SCHEMBL862614 0.91 ESR1 (0.42) ESR1CYP3A4THRATHRB
SCHEMBL10153468 0.89 SMPD1 (0.37) SMPD1ESR1THRATHRBALOX5
SCHEMBL13759588 0.88 HMGCR (0.47) SMPD1ESR1HMGCRCYP3A4THRA
SCHEMBL13030818 0.88 HMGCR (0.47) SMPD1ESR1HMGCRCYP3A4THRA
SCHEMBL14570394 0.88 HMGCR (0.47) SMPD1ESR1HMGCRCYP3A4THRA
SCHEMBL13607213 0.88 CYP1A1 (0.43) SMPD1CYP1A1CYP1B1CYP1A2NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8142908-B2 Polymer light-emitting material comprising a conjugated polymer and compound exhibiting light emission from the triplet excited state and polymer light-emitting device using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-03-27 US disclosed
US-8012603-B2 Polyanilines; strong fluorescence and large charge transporting properties SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-09-06 US disclosed
US-20080138651-A1 Polyanilines; strong fluorescence and large charge transporting properties SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-06-12 US disclosed
US-20070051922-A1 Polymer light-emitting material and polymer light-emitting device SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-03-08 US disclosed
US-20070040164-A1 Polymer complex compound and polymer light emitting device using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-02-22 US disclosed
US-7157154-B2 Organoboron polymers; photoconductivity; inks; thin films; semiconductors; surface light sources; dot matrix displays SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-01-02 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-20080138651-A1 Polyanilines; strong fluorescence and large charge transporting properties BRS3, SLC43A1, MRPS23 SMPD1 4418/4885ESR1 1141/4885HMGCR 4470/4885

“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.