SCHEMBL1611089

SCHEMBL1611089

[C]#CC(CCCC)c1ccc(C)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.42
FFAR1 O14842 1/20 0.34
HTT P42858 1/20 0.32
CHRNA7 P36544 1/20 0.32
PTGES O14684 1/20 0.32
ALOX5 P09917 1/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
KCNH2 Q12809 2/20 0.31
SLC2A1 P11166 1/20 0.31
BDKRB2 P30411 1/20 0.31
CYP17A1 P05093 1/20 0.31
CYP19A1 P11511 1/20 0.30
CA12 O43570 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
HPGD P15428 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
SCHEMBL1612159 0.95 HRH3 (0.38) HRH3FFAR1HTTCHRNA7KCNH2
SCHEMBL1609738 0.89 FFAR1 (0.36) HRH3FFAR1CHRNA7ALOX5CYP19A1
SCHEMBL1610744 0.85 SMN1; SMN2 (0.36) FFAR1SLC2A1BDKRB2L3MBTL1HPGD
SCHEMBL1610729 0.84 TSHR (0.40) HRH3SLC2A1BDKRB2CYP19A1L3MBTL1
SCHEMBL1610710 0.83 POLB (0.41) KCNH2CA2
SCHEMBL1612217 0.82 CA2 (0.41) BDKRB2CA2HPGD
SCHEMBL1610636 0.82 TDP1 (0.35) L3MBTL1HPGD
SCHEMBL1611371 0.82 HTR2A (0.37) SLC2A1BDKRB2CA2L3MBTL1HPGD
SCHEMBL3166313 0.81 HRH3 (0.42) HRH3FFAR1HTTALOX5
SCHEMBL1611112 0.81 PPARG (0.33) HRH3PPARGPPARA

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 HRH3 119/4885FFAR1 4079/4885HTT 774/4885

“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.