SCHEMBL3979444

SCHEMBL3979444

Cc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1OCCCOc1ccc(CC(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 13/20 0.50
PPARA Q07869 10/20 0.50
PPARG P37231 8/20 0.50
NR1H2 P55055 2/20 0.48
NR1H3 Q13133 2/20 0.48
LTB4R Q15722 3/20 0.44
LTB4R2 Q9NPC1 2/20 0.44
PLA2G4B P0C869 1/20 0.44

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
SCHEMBL3978038 0.89 PPARD (0.52) PPARDPPARAPPARGNR1H2NR1H3
SCHEMBL3977194 0.86 PPARD (0.49) PPARDPPARAPPARGNR1H2NR1H3
SCHEMBL3984175 0.86 PLA2G4B (0.45) PPARDPPARAPPARGNR1H2NR1H3
SCHEMBL3977237 0.83 NR1H2 (0.48) PPARDPPARAPPARGNR1H2NR1H3
SCHEMBL3981193 0.82 TDP1 (0.56) PPARDPPARAPPARGNR1H2NR1H3
SCHEMBL3981346 0.79 NR1H2 (0.53) PPARDPPARANR1H2NR1H3
SCHEMBL3981345 0.79 NR1H2 (0.53) PPARDPPARANR1H2NR1H3
SCHEMBL3981348 0.79 NR1H2 (0.53) PPARDPPARANR1H2NR1H3
SCHEMBL3980716 0.78 NR1H2 (0.56) PPARDPPARAPPARGNR1H2NR1H3
SCHEMBL3976116 0.75 NR1H2 (0.46) PPARDPPARAPPARGNR1H2NR1H3

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7473705-B2 Hexafluoroisopropanol substituted ether derivatives HOFFMANN-LA ROCHE INC. (US) 2009-01-06 US claimed
EP-1802566-B1 HEXAFLUOROISOPROPANOL SUBSTITUTED ETHER DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-11-26 EP claimed
EP-1802566-A1 HEXAFLUOROISOPROPANOL SUBSTITUTED ETHER DERIVATIVES F. Hoffmann-Roche AG (CH) 2007-07-04 EP claimed
WO-2006037480-A1 HEXAFLUOROISOPROPANOL SUBSTITUTED ETHER DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2006-04-13 WO claimed
US-20060074115-A1 Novel hexafluoroisopropanol substituted ether derivatives HOFFMANN-LA ROCHE INC. 2006-04-06 US claimed
US-7473705-B2 Hexafluoroisopropanol substituted ether derivatives HOFFMANN-LA ROCHE INC. (US) 2009-01-06 US disclosed
EP-1802566-B1 HEXAFLUOROISOPROPANOL SUBSTITUTED ETHER DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-11-26 EP disclosed
EP-1802566-A1 HEXAFLUOROISOPROPANOL SUBSTITUTED ETHER DERIVATIVES F. Hoffmann-Roche AG (CH) 2007-07-04 EP disclosed
WO-2006037480-A1 HEXAFLUOROISOPROPANOL SUBSTITUTED ETHER DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2006-04-13 WO disclosed
US-20060074115-A1 Novel hexafluoroisopropanol substituted ether derivatives HOFFMANN-LA ROCHE INC. 2006-04-06 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-20060074115-A1 Novel hexafluoroisopropanol substituted ether derivatives NR1H3, NR1H2, NR1I2 PPARD 10/4885PPARA 23/4885PPARG 22/4885

“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.