SCHEMBL1611735

SCHEMBL1611735

CC/C=[C]\c1c(C)cccc1C

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.35
CYP2A6 P11509 2/20 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
CYP2C19 P33261 1/20 0.33
TSHR P16473 1/20 0.33
ACHE P22303 1/20 0.33
FFAR1 O14842 1/20 0.31
TRPA1 O75762 2/20 0.30
CD44 P16070 1/20 0.30
ATM Q13315 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
SCHEMBL1612728 0.83 CYP1A2 (0.32) CYP1A2CYP2A6ALDH1A1CA1CA2
SCHEMBL1609912 0.80
SCHEMBL1610827 0.79 TLR8 (0.30) CYP1A2CYP2A6CYP2C19
SCHEMBL1610837 0.78 TLR8 (0.36) TSHR
SCHEMBL1610960 0.77 RAPGEF4 (0.32)
SCHEMBL1610611 0.77 FFAR1 (0.36) CYP1A2CYP2A6ALDH1A1CA1CA2
SCHEMBL1610571 0.77 FAAH (0.36) TSHR
SCHEMBL1611529 0.76 TSHR (0.46) ALDH1A1CA1CA2CA7CA9
SCHEMBL3113206 0.73 CYP1A2 (0.39) CYP1A2CYP2A6ALDH1A1CA1CA2
SCHEMBL1610698 0.73

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 CYP1A2 125/4885CYP2A6 1465/4885ALDH1A1 137/4885

“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.