SCHEMBL3980402

SCHEMBL3980402

O=C(O)CCc1ccc(OCCCOc2cccc(C(O)(C(F)(F)F)C(F)(F)F)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 16/20 0.58
FFAR4 Q5NUL3 4/20 0.58
PPARG P37231 3/20 0.52
PPARD Q03181 2/20 0.52
PPARA Q07869 1/20 0.52
LMNA P02545 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
NR1H2 P55055 1/20 0.49
NR1H3 Q13133 1/20 0.49

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
SCHEMBL3978417 0.88 NR1H2 (0.51) FFAR1FFAR4PPARGPPARDPPARA
SCHEMBL3976043 0.81 NR1H2 (0.50) PPARGPPARDPPARALMNANR1H2
SCHEMBL10684837 0.78 FFAR1 (0.54) FFAR1FFAR4PPARGPPARDPPARA
SCHEMBL3976505 0.78 PPARA (0.49) PPARGPPARAL3MBTL1
SCHEMBL4530820 0.77 FFAR1 (0.88) FFAR1FFAR4PPARGPPARDPPARA
SCHEMBL8213476 0.76 FFAR1 (0.81) FFAR1FFAR4PPARGPPARDPPARA
SCHEMBL10681264 0.75 MLYCD (0.60) FFAR1
SCHEMBL3981981 0.75 PLA2G4B (0.53) FFAR1PPARGPPARDPPARANR1H2
SCHEMBL3983223 0.74 CACNA1B (0.44) NR1H2NR1H3
SCHEMBL24724223 0.74 FFAR1 (0.66) FFAR1FFAR4PPARGPPARDPPARA

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 FFAR1 9/4885FFAR4 21/4885PPARG 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.