SCHEMBL5484825

SCHEMBL5484825

CCOC(=O)C(C)(C)Oc1ccc(OCCCC#Cc2ccc(C(F)(F)F)cn2)cc1C

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 15/20 0.41
PPARA Q07869 11/20 0.41
PPARG P37231 8/20 0.41
FBP1 P09467 2/20 0.40
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
ABCB11 O95342 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
HTR2A P28223 1/20 0.35
PMP22 Q01453 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
SCHEMBL5480844 0.90 PPARD (0.51) PPARDPPARAPPARG
SCHEMBL5484341 0.88 PPARD (0.45) PPARDPPARAPPARGFBP1ABCB11
SCHEMBL5485906 0.83 PPARD (0.41) PPARDPPARAPPARGFBP1
SCHEMBL5481243 0.83 PPARD (0.46) PPARDPPARAPPARGFBP1ABCB11
SCHEMBL5483541 0.81 FBP1 (0.43) PPARDPPARAPPARGFBP1ABCB11
SCHEMBL5484292 0.78 PPARA (0.52) PPARDPPARAPPARGFBP1ABCB11
SCHEMBL5483366 0.78 PPARA (0.42) PPARDPPARAPPARGFBP1
SCHEMBL5481196 0.77 PPARD (0.54) PPARDPPARAPPARG
SCHEMBL5484324 0.77 FBP1 (0.53) PPARDPPARAPPARGFBP1ABCB11
SCHEMBL5489663 0.77 FBP1 (0.44) PPARDPPARAPPARGFBP1ABCB11

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 2/4885PPARG 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.