SCHEMBL862607

SCHEMBL862607

CCCCCCCCCCOc1cc(/C=C/c2ccc(/C=C/c3cc(OCCCCCCCCCC)c(C)cc3OCCCCCCCCCC)cc2)c(OCCCCCCCCCC)cc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.42
ESR1 P03372 2/20 0.42
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
APP P05067 2/20 0.40
THRB P10828 3/20 0.40
THRA P10827 2/20 0.40
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
SMPD1 P17405 3/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
S1PR2 O95136 1/20 0.37
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
LPAR2 Q9HBW0 1/20 0.37
TUBB4A P04350 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
SCHEMBL19342863 0.96 THRB (0.40) AHRESR1PTGS1PTGS2APP
SCHEMBL862818 0.96 THRB (0.40) AHRESR1PTGS1PTGS2APP
SCHEMBL10153553 0.93 ESR1 (0.38) AHRESR1PTGS1PTGS2APP
SCHEMBL12252238 0.92 ESR1 (0.43) ESR1THRBTHRAALDH1A1HPGD
SCHEMBL862517 0.92 ESR1 (0.43) ESR1THRBTHRAALDH1A1HPGD
SCHEMBL13410112 0.90 ALDH1A1 (0.44) AHRESR1PTGS1PTGS2APP
SCHEMBL13607213 0.90 CYP1A1 (0.43) AHRAPPSMPD1MAPTTUBB4A
SCHEMBL862614 0.89 ESR1 (0.42) ESR1THRBTHRAALDH1A1HPGD
SCHEMBL10153473 0.89 THRB (0.41) AHRESR1PTGS1PTGS2APP
SCHEMBL13410111 0.88 MAPT (0.45) AHRPTGS1PTGS2APPTHRB

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 AHR 44/4885ESR1 1141/4885PTGS1 3112/4885

“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.