SCHEMBL1610072

SCHEMBL1610072

C/C=[C]/c1cccc(C)c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.39
ATM Q13315 1/20 0.39
TSHR P16473 3/20 0.38
FFAR1 O14842 1/20 0.35
CYP2A6 P11509 2/20 0.35
CYP1A2 P05177 1/20 0.35
ALDH1A1 P00352 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
ACHE P22303 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
MAPT P10636 1/20 0.31
RAPGEF4 Q8WZA2 1/20 0.31
CD44 P16070 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
SCHEMBL1610051 0.81 TSHR (0.52) TSHRFFAR1CYP2A6CYP1A2ALDH1A1
SCHEMBL9196607 0.81 TSHR (0.52) TSHRFFAR1CYP2A6CYP1A2ALDH1A1
SCHEMBL1612423 0.79
SCHEMBL1610611 0.77 FFAR1 (0.36) TRPA1ATMTSHRFFAR1CYP2A6
SCHEMBL1141210 0.75 TRPA1 (0.46) TRPA1ATMTSHRFFAR1CYP2A6
SCHEMBL1611076 0.74 TSHR (0.34) TRPA1ATMTSHRFFAR1
SCHEMBL3113206 0.73 CYP1A2 (0.39) TRPA1ATMTSHRFFAR1CYP2A6
SCHEMBL8435571 0.73 TRPA1 (0.44) TRPA1ATMTSHRFFAR1CYP2A6
SCHEMBL1312250 0.71 CYP3A4 (0.43) TRPA1ATMTSHRFFAR1CYP2A6
SCHEMBL3940648 0.71 TRPA1 (0.42) TRPA1ATMTSHRFFAR1CYP2A6

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 TRPA1 36/4885ATM 1470/4885TSHR 2994/4885

“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.