SCHEMBL5485919

SCHEMBL5485919

CCOC(=O)C(C)(C)Oc1ccc(OCC2(CC#Cc3ccc(OC(F)(F)F)cc3)CCC2)cc1C

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 15/20 0.40
PPARA Q07869 8/20 0.40
FBP1 P09467 2/20 0.38
ABCB11 O95342 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
HTR2A P28223 1/20 0.37
PMP22 Q01453 1/20 0.37
HRH2 P25021 1/20 0.35
HRH1 P35367 1/20 0.35
LMNA P02545 1/20 0.35
PPARG P37231 2/20 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
SCHEMBL5483465 0.97 PPARD (0.41) PPARDPPARAFBP1ABCB11CYP1A2
SCHEMBL5481351 0.91 PPARD (0.49) PPARDPPARAPPARG
SCHEMBL5484326 0.87 PPARD (0.50) PPARDPPARAPPARG
SCHEMBL5489663 0.83 FBP1 (0.44) PPARDPPARAFBP1ABCB11CYP1A2
SCHEMBL5483541 0.82 FBP1 (0.43) PPARDPPARAFBP1ABCB11CYP1A2
SCHEMBL5488015 0.82 FBP1 (0.44) PPARDPPARAFBP1ABCB11CYP1A2
SCHEMBL5482973 0.81 PPARD (0.42) PPARDPPARAFBP1ABCB11CYP1A2
SCHEMBL5486308 0.79 FBP1 (0.42) PPARDPPARAFBP1ABCB11CYP1A2
SCHEMBL5485924 0.77 FBP1 (0.37) PPARDPPARAFBP1ABCB11CYP1A2
SCHEMBL5480901 0.77 FBP1 (0.40) PPARDPPARAFBP1ABCB11CYP1A2

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 4 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 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 2/4885FBP1 1630/4885

“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.