SCHEMBL4257976

SCHEMBL4257976

COc1ccc(COC(c2ccc(OC(Cc3ccccc3)C(=O)OCc3ccccc3)c(C)c2)(C(F)(F)F)C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.44
PPARA Q07869 7/20 0.44
PPARD Q03181 3/20 0.38
PTPN1 P18031 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
ACHE P22303 1/20 0.37
ATM Q13315 1/20 0.37
FFAR4 Q5NUL3 2/20 0.36
FFAR1 O14842 1/20 0.36
FFAR2 O15552 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL4257969 1.00 PPARG (0.44) PPARGPPARAPPARDPTPN1CA1
SCHEMBL5613856 0.86 PPARG (0.36) PPARGPPARAPPARDFFAR4FFAR1
SCHEMBL3982215 0.85 PPARD (0.37) PPARGPPARAPPARDPTPN1FFAR4
SCHEMBL3982211 0.85 PPARD (0.37) PPARGPPARAPPARDPTPN1FFAR4
SCHEMBL3975957 0.83 PPARG (0.54) PPARGPPARAPTPN1
SCHEMBL3975952 0.83 PPARG (0.54) PPARGPPARAPTPN1
SCHEMBL3986138 0.79 NR1H2 (0.43) PPARDFFAR4FFAR1FFAR2
SCHEMBL3986147 0.79 NR1H2 (0.43) PPARDFFAR4FFAR1FFAR2
SCHEMBL3986144 0.79 NR1H2 (0.43) PPARDFFAR4FFAR1FFAR2
SCHEMBL5613806 0.75 PPARG (0.43) PPARGPPARAL3MBTL1

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 5 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 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 PPARG 22/4885PPARA 23/4885PPARD 10/4885

“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.