SCHEMBL1610434

SCHEMBL1610434

CCCCCC[CH]c1c(C)c(C)c(C)c(C)c1C

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
THRB P10828 1/20 0.38
FAAH O00519 2/20 0.38
TRPV1 Q8NER1 1/20 0.38
DNM1 Q05193 3/20 0.36
CCR5 P51681 5/20 0.35
EP300 Q09472 1/20 0.34

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
SCHEMBL1611247 1.00 TSHR (0.42) TSHRTHRBFAAHTRPV1DNM1
SCHEMBL1612187 0.98 TSHR (0.39) TSHRTHRBFAAHTRPV1DNM1
SCHEMBL1610975 0.83 TSHR (0.41) TSHRTHRBFAAHTRPV1CCR5
SCHEMBL1611028 0.83 TSHR (0.41) TSHRTHRBFAAHTRPV1CCR5
SCHEMBL1611023 0.80 TSHR (0.38) TSHRFAAHTRPV1CCR5
SCHEMBL1611624 0.80 TSHR (0.39) TSHRFAAHTRPV1CCR5
SCHEMBL1611842 0.80 TSHR (0.39) TSHRFAAHTRPV1CCR5
SCHEMBL1610856 0.77 TSHR (0.35) TSHRFAAHTRPV1CCR5
SCHEMBL1611701 0.77 TSHR (0.35) TSHRFAAHTRPV1CCR5
SCHEMBL1609722 0.77 TSHR (0.35) TSHRFAAHTRPV1CCR5

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 2994/4885THRB 2154/4885FAAH 4640/4885

“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.