SCHEMBL1611702

SCHEMBL1611702

CCCC[CH]c1c(C)ccc(C)c1C

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 2/20 0.31
ALDH1A1 P00352 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
SCHEMBL1610004 0.94 NPC1 (0.32) CYP3A4CYP2D6CYP2C9TSHRALDH1A1
SCHEMBL1610856 0.92 TSHR (0.35) CYP2D6TSHR
SCHEMBL1611701 0.92 TSHR (0.35) CYP2D6TSHR
SCHEMBL1610279 0.87
SCHEMBL1610190 0.81 TSHR (0.34) TSHRALDH1A1
SCHEMBL1613191 0.81 TSHR (0.37) TSHRALDH1A1
SCHEMBL1612697 0.80 CYP1A2 (0.31) TSHR
SCHEMBL1611869 0.78 TSHR (0.34) TSHRALDH1A1
SCHEMBL1612169 0.78 PDE5A (0.33) CYP3A4CYP2D6CYP2C9TSHRALDH1A1
SCHEMBL1611023 0.75 TSHR (0.38) TSHR

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 CYP3A4 517/4885CYP2D6 533/4885CYP2C9 823/4885

“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.