SCHEMBL5487646

SCHEMBL5487646

COC(=O)C(C)(C)Oc1cc(Cl)c(OCCCC#Cc2ccc(OC(F)(F)F)cc2)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 10/20 0.42
PPARD Q03181 8/20 0.42
PPARG P37231 6/20 0.40
FFAR4 Q5NUL3 5/20 0.39
FFAR1 O14842 2/20 0.39
SCN5A Q14524 2/20 0.39
CYP2C9 P11712 1/20 0.39
ACACB O00763 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.36
CYP3A4 P08684 1/20 0.36
KCNH2 Q12809 1/20 0.36
CACNA1C Q13936 1/20 0.36
ATM Q13315 1/20 0.35

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
SCHEMBL5485688 0.90 PPARA (0.50) PPARAPPARDPPARGFFAR4FFAR1
SCHEMBL5483844 0.84 PTPN2 (0.37) PPARAPPARDPPARGFFAR4FFAR1
SCHEMBL5483541 0.76 FBP1 (0.43) PPARAPPARDPPARGFFAR4FFAR1
SCHEMBL5482249 0.76 PPARA (0.42) PPARAPPARDPPARGFFAR4FFAR1
SCHEMBL5481254 0.76 PPARA (0.40) PPARAPPARDPPARGFFAR4FFAR1
SCHEMBL5486993 0.76 PPARA (0.42) PPARAPPARDPPARGFFAR4FFAR1
SCHEMBL5488160 0.74 PPARA (0.48) PPARAPPARDPPARGFFAR4FFAR1
SCHEMBL5487844 0.74 PPARD (0.53) PPARAPPARDPPARGFFAR4
SCHEMBL5482945 0.74 PPARA (0.43) PPARAPPARDPPARGFFAR4FFAR1
SCHEMBL2424136 0.73 FFAR1 (0.38) PPARAPPARDPPARGFFAR4FFAR1

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.