SCHEMBL5481264

SCHEMBL5481264

Cc1cc(SCC#Cc2ccccc2)ccc1OCC(=O)O

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 18/20 0.69
PPARA Q07869 3/20 0.69
PPARG P37231 1/20 0.49
PTGDR2 Q9Y5Y4 1/20 0.48

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
SCHEMBL5481923 0.90 PPARD (0.56) PPARDPPARA
SCHEMBL5484182 0.90 PPARD (0.62) PPARDPPARAPTGDR2
SCHEMBL5482948 0.89 PPARD (0.65) PPARDPPARA
SCHEMBL5482920 0.87 PPARD (0.66) PPARDPPARA
SCHEMBL5483550 0.87 PPARD (0.53) PPARDPPARA
SCHEMBL5480863 0.86 PPARD (0.57) PPARDPPARAPTGDR2
SCHEMBL5486731 0.82 PTGDR2 (0.57) PPARDPPARAPPARGPTGDR2
SCHEMBL1245359 0.79 PPARD (0.74) PPARDPPARAPPARGPTGDR2
SCHEMBL1745624 0.78 PPARD (0.72) PPARDPPARAPTGDR2
SCHEMBL1745627 0.78 PPARD (0.72) PPARDPPARAPTGDR2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7253192-B2 Phenyl derivatives comprising an acetylene group HOFFMANN-LA ROCHE INC. (US) 2007-08-07 US claimed
EP-1765760-A1 PHENYL DERIVATIVES COMPRISING AN ACETYLENE GROUP F.HOFFMANN-LA ROCHE AG (CH) 2007-03-28 EP claimed
WO-2006002802-A1 PHENYL DERIVATIVES COMPRISING AN ACETYLENE GROUP F. HOFFMANN-LA ROCHE AG (CH) 2006-01-12 WO claimed
US-20060004091-A1 Phenyl derivatives comprising an acetylene group F. HOFFMANN-LA ROCHE AG (CH) 2006-01-05 US claimed
US-7253192-B2 Phenyl derivatives comprising an acetylene group HOFFMANN-LA ROCHE INC. (US) 2007-08-07 US disclosed
EP-1765760-A1 PHENYL DERIVATIVES COMPRISING AN ACETYLENE GROUP F.HOFFMANN-LA ROCHE AG (CH) 2007-03-28 EP disclosed
WO-2006002802-A1 PHENYL DERIVATIVES COMPRISING AN ACETYLENE GROUP F. HOFFMANN-LA ROCHE AG (CH) 2006-01-12 WO disclosed
US-20060004091-A1 Phenyl derivatives comprising an acetylene group F. HOFFMANN-LA ROCHE AG (CH) 2006-01-05 US 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-20060004091-A1 Phenyl derivatives comprising an acetylene group PPARD, PPARA, PPARG PPARD 1/4885PPARA 2/4885PPARG 3/4885

“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.