SCHEMBL5484817

SCHEMBL5484817

CCOC(=O)COc1ccc(OCCCC#Cc2ccc(OC(F)(F)F)cc2)cc1C

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 15/20 0.47
PPARG P37231 4/20 0.45
PPARA Q07869 4/20 0.45
LMNA P02545 1/20 0.42
ESR1 P03372 1/20 0.41
POLB P06746 1/20 0.41
HRH2 P25021 1/20 0.41
HRH1 P35367 1/20 0.41
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39

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
SCHEMBL5489752 0.89 PPARD (0.58) PPARDPPARGPPARA
SCHEMBL5483541 0.86 FBP1 (0.43) PPARDPPARGPPARALMNAHRH2
SCHEMBL5487844 0.82 PPARD (0.53) PPARDPPARGPPARAFFAR4
SCHEMBL5489663 0.81 FBP1 (0.44) PPARDPPARGPPARALMNAHRH2
SCHEMBL5484788 0.79 PPARD (0.50) PPARDPPARA
SCHEMBL5483759 0.78 PPARD (0.63) PPARDPPARA
SCHEMBL5484341 0.77 PPARD (0.45) PPARDPPARGPPARA
SCHEMBL5482324 0.77 PPARD (0.54) PPARDPPARGPPARA
SCHEMBL5483366 0.77 PPARA (0.42) PPARDPPARGPPARAHRH2HRH1
SCHEMBL3873618 0.77 PPARG (0.44) PPARDPPARGPPARALMNAPOLB

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 1/4885PPARG 3/4885PPARA 2/4885

“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.