SCHEMBL1611072

SCHEMBL1611072

CCCCC[CH]c1ccc(C)c(C)c1C

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.31
TLR8 Q9NR97 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 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
SCHEMBL1609967 0.98 TSHR (0.34) TSHRCYP2D6
SCHEMBL1610058 0.98 TSHR (0.34) TSHRCYP2D6
SCHEMBL1612169 0.94 PDE5A (0.33) TSHRCYP3A4CYP2D6CYP2C9
SCHEMBL1611409 0.86
SCHEMBL1611455 0.83 TLR8 (0.36) TSHRTLR8
SCHEMBL1612511 0.81 CNR1 (0.37) TSHRTLR8CYP2D6
SCHEMBL1610200 0.81 CNR1 (0.37) TSHRTLR8CYP2D6
SCHEMBL1611373 0.81 TSHR (0.35) TSHR
SCHEMBL1613238 0.79 TSHR (0.39) TSHR
SCHEMBL1611498 0.79 TSHR (0.39) 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 TSHR 2994/4885TLR8 4323/4885CYP3A4 517/4885

“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.