SCHEMBL1611077

SCHEMBL1611077

[CH]=CCCCc1cccc(C)c1C

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
TAAR1 Q96RJ0 1/20 0.34
TRPA1 O75762 1/20 0.33
ATM Q13315 1/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CHRM2 P08172 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
SCHEMBL1612355 0.95 ESR1 (0.36) ESR1ESR2TAAR1TRPA1ATM
SCHEMBL1610885 0.93 ESR1 (0.35) ESR1ESR2TAAR1TRPA1ATM
SCHEMBL1609954 0.93 ESR1 (0.35) ESR1ESR2TAAR1TRPA1ATM
SCHEMBL1610613 0.89 ESR1 (0.39) ESR1ESR2TAAR1TRPA1ATM
SCHEMBL1612132 0.85 TAAR1 (0.50) TAAR1GAAMAPTCHRM2
SCHEMBL1609896 0.83
SCHEMBL12802022 0.81 ESR1 (0.40) ESR1ESR2TAAR1TRPA1ATM
SCHEMBL27756970 0.81 ESR1 (0.37) ESR1ESR2TAAR1TRPA1ATM
SCHEMBL1612730 0.80 CYP1A2 (0.33) TAAR1MAPTHSD17B10
SCHEMBL29765276 0.80 ESR1 (0.43) ESR1ESR2TAAR1TRPA1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110087034-A1 Organic Semiconductor Material SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2011-04-14 US disclosed
EP-2248818-A1 ORGANIC SEMICONDUCTOR MATERIAL Sumitomo Chemical Company, Limited (JP) 2010-11-10 EP 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-20110087034-A1 Organic Semiconductor Material OR10J3, TST, OR51E2 ESR1 1107/4885ESR2 721/4885TAAR1 772/4885

“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.