SCHEMBL5488015

SCHEMBL5488015

C#CCC1(COc2ccc(OC(C)(C)C(=O)OCC)c(C)c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 12/20 0.44
PPARA Q07869 6/20 0.41
ABCB11 O95342 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
HTR2A P28223 1/20 0.41
PMP22 Q01453 1/20 0.41
PPARD Q03181 5/20 0.37
PPARG P37231 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
SCHEMBL5486308 0.87 FBP1 (0.42) FBP1PPARAABCB11CYP1A2CYP3A4
SCHEMBL5483465 0.85 PPARD (0.41) FBP1PPARAABCB11CYP1A2CYP3A4
SCHEMBL5485919 0.82 PPARD (0.40) FBP1PPARAABCB11CYP1A2CYP3A4
SCHEMBL5484169 0.81 FBP1 (0.54) FBP1PPARAABCB11CYP1A2CYP3A4
SCHEMBL5484324 0.80 FBP1 (0.53) FBP1PPARAABCB11CYP1A2CYP3A4
SCHEMBL5186608 0.76 FBP1 (0.52) FBP1PPARAABCB11CYP1A2CYP3A4
SCHEMBL5186652 0.74 FBP1 (0.54) FBP1PPARAABCB11CYP1A2CYP3A4
SCHEMBL5484326 0.74 PPARD (0.50) PPARAPPARDPPARG
SCHEMBL5186614 0.74 FBP1 (0.53) FBP1PPARAABCB11CYP1A2CYP3A4
SCHEMBL5488021 0.73 FBP1 (0.44) FBP1PPARAABCB11CYP1A2CYP3A4

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 2 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
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 FBP1 1630/4885PPARA 2/4885ABCB11 880/4885

“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.