SCHEMBL862818

SCHEMBL862818

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ESR1 P03372 2/20 0.40
AHR P35869 1/20 0.40
PTGS1 P23219 2/20 0.38
PTGS2 P35354 2/20 0.38
APP P05067 1/20 0.38
THRA P10827 2/20 0.38
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 1/20 0.37
TUBB3 Q13509 1/20 0.37
TUBB2A Q13885 1/20 0.37
TUBB8 Q3ZCM7 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 1.00 THRB (0.40) THRBALDH1A1GAAMAPTNPSR1
SCHEMBL862607 0.96 AHR (0.42) THRBALDH1A1GAAMAPTNPSR1
SCHEMBL13410112 0.94 ALDH1A1 (0.44) THRBALDH1A1GAAMAPTNPSR1
SCHEMBL13607213 0.94 CYP1A1 (0.43) MAPTAHRAPPTUBB4ATUBB
SCHEMBL10153473 0.93 THRB (0.41) THRBALDH1A1GAAMAPTNPSR1
SCHEMBL13410111 0.93 MAPT (0.45) THRBALDH1A1GAAMAPTNPSR1
SCHEMBL10153553 0.90 ESR1 (0.38) THRBALDH1A1GAAMAPTNPSR1
SCHEMBL12252238 0.89 ESR1 (0.43) THRBALDH1A1GAAMAPTNPSR1
SCHEMBL862517 0.89 ESR1 (0.43) THRBALDH1A1GAAMAPTNPSR1
SCHEMBL13615365 0.88 ESR1 (0.45) THRBALDH1A1GAAMAPTNPSR1

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
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-7208567-B2 Polymer compound and polymer light emitting device using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-04-24 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 THRB 2657/4885ALDH1A1 4281/4885GAA 3528/4885

“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.