SCHEMBL3979486

SCHEMBL3979486

COc1ccc(COC(c2ccc(OCCCO)c(C)c2)(C(F)(F)F)C(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 10/20 0.42
TLR8 Q9NR97 1/20 0.40
APP P05067 2/20 0.39
PPARA Q07869 5/20 0.38
ESR1 P03372 1/20 0.38
FFAR1 O14842 1/20 0.38
FFAR2 O15552 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
PPARG P37231 3/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
PTPN1 P18031 1/20 0.37
NR3C1 P04150 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
SCHEMBL3981322 0.89 PPARD (0.43) PPARDAPPPPARAPTPN1
SCHEMBL3982029 0.86 APP (0.40) PPARDAPPFFAR4
SCHEMBL3983187 0.83 APP (0.42) APPPTPN1
SCHEMBL3987602 0.81 APP (0.41) PPARDAPPFFAR4PTGDR2
SCHEMBL3983212 0.80 IGF1R (0.40) ESR1
SCHEMBL3979075 0.80 APP (0.51) APPFFAR1PTPN1
SCHEMBL3984342 0.77 APP (0.43) APPFFAR1PTPN1
SCHEMBL3982215 0.77 PPARD (0.37) PPARDPPARAFFAR1FFAR2FFAR4
SCHEMBL3982211 0.77 PPARD (0.37) PPARDPPARAFFAR1FFAR2FFAR4
SCHEMBL3978166 0.77 ALOX5 (0.43) APP

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 PPARD 10/4885TLR8 993/4885APP 1609/4885

“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.