SCHEMBL3976121

SCHEMBL3976121

O=C(O)c1ccc(OC[C@@H](Cc2ccccc2)Oc2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 3/20 0.48
NR1H3 Q13133 3/20 0.48
PPARG P37231 2/20 0.46
PPARA Q07869 2/20 0.46
MLYCD O95822 6/20 0.46
NR4A2 P43354 3/20 0.45
NR4A1 P22736 1/20 0.45
NR4A3 Q92570 1/20 0.45
SRD5A2 P31213 1/20 0.42
MRGPRX4 Q96LA9 2/20 0.42
PKM P14618 1/20 0.41
PLA2G4B P0C869 1/20 0.41
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40

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
SCHEMBL3976129 1.00 NR1H2 (0.48) NR1H2NR1H3PPARGPPARAMLYCD
SCHEMBL3976132 1.00 NR1H2 (0.48) NR1H2NR1H3PPARGPPARAMLYCD
SCHEMBL3979305 0.89 NR1H2 (0.52) NR1H2NR1H3PPARGPPARAMLYCD
SCHEMBL3979307 0.89 NR1H2 (0.52) NR1H2NR1H3PPARGPPARAMLYCD
SCHEMBL3979281 0.89 NR1H2 (0.52) NR1H2NR1H3PPARGPPARAMLYCD
SCHEMBL3978193 0.88 NR1H2 (0.51) NR1H2NR1H3PPARGPPARAMLYCD
SCHEMBL3978187 0.88 NR1H2 (0.51) NR1H2NR1H3PPARGPPARAMLYCD
SCHEMBL3978190 0.88 NR1H2 (0.51) NR1H2NR1H3PPARGPPARAMLYCD
SCHEMBL3977805 0.88 NR1H2 (0.51) NR1H2NR1H3PPARAMLYCDNR4A2
SCHEMBL3977818 0.88 NR1H2 (0.51) NR1H2NR1H3PPARAMLYCDNR4A2

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 NR1H2 2/4885NR1H3 1/4885PPARG 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.