SCHEMBL1610190

SCHEMBL1610190

CCCC[CH]c1c(C)cccc1C

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2A6 P11509 1/20 0.33
TLR8 Q9NR97 3/20 0.33
KCNH2 Q12809 2/20 0.32
ALDH1A1 P00352 2/20 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
ACHE P22303 1/20 0.32
GPR84 Q9NQS5 1/20 0.32
FAAH O00519 1/20 0.31

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
SCHEMBL3111748 0.94 TLR8 (0.38) TSHRTLR8KCNH2GPR84FAAH
SCHEMBL1611045 0.92 KCNH2 (0.38) TSHRTLR8KCNH2GPR84FAAH
SCHEMBL1610792 0.92 KCNH2 (0.38) TSHRTLR8KCNH2GPR84FAAH
SCHEMBL1609827 0.86 CYP2A6 (0.36) TSHRCYP1A2CYP2A6ALDH1A1CA1
SCHEMBL1611702 0.81 CYP3A4 (0.32) TSHRALDH1A1
SCHEMBL27851027 0.79 CXCR5 (0.39) FAAH
SCHEMBL724975 0.79 CYP2A6 (0.41) TSHRCYP1A2CYP2A6ALDH1A1CA1
SCHEMBL1611836 0.78 SIRT2 (0.34) TSHRALDH1A1
SCHEMBL1611261 0.78 TRPA1 (0.34) TSHRTLR8ALDH1A1
SCHEMBL1611320 0.77 TSHR (0.45) TSHRCYP1A2ALDH1A1ACHE

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 TSHR 2994/4885CYP1A2 125/4885CYP2A6 1465/4885

“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.