SCHEMBL1609758

SCHEMBL1609758

CCCCCC/C=[C]\c1c(C)ccc(C)c1C

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.32
HTT P42858 1/20 0.31
TYR P14679 1/20 0.30
CYP2D6 P10635 1/20 0.30
TK1 P04183 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
SCHEMBL1610527 0.98
SCHEMBL1610499 0.93
SCHEMBL1610950 0.85
SCHEMBL1609699 0.84 TSHR (0.38) TSHRTK1
SCHEMBL1610571 0.84 FAAH (0.36) TSHR
SCHEMBL1610837 0.82 TLR8 (0.36) TSHR
SCHEMBL1610901 0.82 TSHR (0.34) TSHR
SCHEMBL1611643 0.81 TSHR (0.35) TSHR
SCHEMBL1612167 0.81 TSHR (0.31) TSHRHTT
SCHEMBL1611761 0.80 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 TSHR 2994/4885HTT 774/4885TYR 37/4885

“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.