SCHEMBL5483366

SCHEMBL5483366

CCOC(=O)C(C)(C)Oc1ccc(OCCCC#Cc2cccc(OC(F)(F)F)c2)cc1C

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 6/20 0.42
PPARD Q03181 6/20 0.42
PPARG P37231 4/20 0.42
FBP1 P09467 5/20 0.41
FFAR1 O14842 3/20 0.39
FFAR4 Q5NUL3 3/20 0.38
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HRH2 P25021 1/20 0.36
HRH1 P35367 1/20 0.36
CYP2D6 P10635 1/20 0.36
CACNA1B Q00975 1/20 0.36

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
SCHEMBL5483541 0.91 FBP1 (0.43) PPARAPPARDPPARGFBP1FFAR1
SCHEMBL5481261 0.90 PPARD (0.51) PPARAPPARDPPARGFFAR1FFAR4
SCHEMBL5485906 0.90 PPARD (0.41) PPARAPPARDPPARGFBP1L3MBTL1
SCHEMBL5484794 0.88 PPARA (0.39) PPARAPPARDPPARGFBP1FFAR1
SCHEMBL5489663 0.86 FBP1 (0.44) PPARAPPARDPPARGFBP1HRH2
SCHEMBL5484341 0.85 PPARD (0.45) PPARAPPARDPPARGFBP1
SCHEMBL5484292 0.83 PPARA (0.52) PPARAPPARDPPARGFBP1HRH2
SCHEMBL5487844 0.81 PPARD (0.53) PPARAPPARDPPARGFFAR4
SCHEMBL5481243 0.80 PPARD (0.46) PPARAPPARDPPARGFBP1
SCHEMBL5487400 0.80 PPARD (0.44) PPARAPPARDPPARGFBP1HRH2

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 PPARA 2/4885PPARD 1/4885PPARG 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.