SCHEMBL1611337

SCHEMBL1611337

[C]#CCCCCc1cc(C)c(C)c(C)c1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SKP2 Q13309 1/20 0.32
PTGS2 P35354 3/20 0.31
CYP3A4 P08684 1/20 0.31
NPC1 O15118 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL1610504 0.98 PTGS2 (0.33) SKP2PTGS2CYP3A4
SCHEMBL1611400 0.98 PTGS2 (0.33) SKP2PTGS2CYP3A4
SCHEMBL1611929 0.94 SKP2 (0.32) SKP2NPC1HPGDMAPK1HTT
SCHEMBL1609789 0.85 RAPGEF4 (0.32) PTGS2
SCHEMBL1610942 0.82
SCHEMBL1611143 0.81 SKP2 (0.41) SKP2CYP3A4HTT
SCHEMBL1610784 0.80
SCHEMBL1612287 0.80
SCHEMBL3100890 0.79 SKP2 (0.40) SKP2CYP3A4
SCHEMBL1611997 0.79

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 SKP2 273/4885PTGS2 1609/4885CYP3A4 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.