SCHEMBL1610073

SCHEMBL1610073

[CH]=CCc1cccc(C)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
TRPA1 O75762 1/20 0.38
ATM Q13315 1/20 0.38
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TAAR1 Q96RJ0 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2A6 P11509 1/20 0.33
P2RX7 Q99572 2/20 0.33
TSHR P16473 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL1610053 0.82 TAAR1 (0.46) GAAMAPTTAAR1TSHRALDH1A1
SCHEMBL1612425 0.80
SCHEMBL1610613 0.79 ESR1 (0.39) ESR1ESR2TRPA1ATMTP53
SCHEMBL1733365 0.78 GABRA1 (0.48) ESR1ESR2TRPA1ATMTP53
SCHEMBL170383 0.78 GABRA1 (0.48) ESR1ESR2TRPA1ATMTP53
SCHEMBL3364100 0.78 ESR1 (0.41) ESR1ESR2TRPA1ATMTP53
SCHEMBL9222536 0.77 TAAR1 (0.42) ESR1ESR2TRPA1ATMTP53
Ammonia Solution, Strong SCHEMBL8756176 0.77 GABRA1 (0.47) ESR1ESR2TRPA1ATMTP53
SCHEMBL20952338 0.77 TAAR1 (0.42) ESR1ESR2TRPA1ATMTP53
Hydrochloric Acid SCHEMBL28962287 0.77 GABRA1 (0.47) ESR1ESR2TRPA1ATMTP53

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 721/4885TRPA1 36/4885

“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.