SCHEMBL3985565

SCHEMBL3985565

COc1ccc(COC(c2ccc(O[C@H](CO)Cc3ccccc3)cc2)(C(F)(F)F)C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.43
PPARA Q07869 2/20 0.43
RORC P51449 4/20 0.39
CHRM3 P20309 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALOX15 P16050 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KIF11 P52732 2/20 0.37
LTA4H P09960 1/20 0.37
LDHA P00338 1/20 0.36
GAA P10253 1/20 0.36
NR1I2 O75469 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 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
SCHEMBL3981219 1.00 PPARG (0.43) PPARGPPARARORCCHRM3KDM4E
SCHEMBL3981216 1.00 PPARG (0.43) PPARGPPARARORCCHRM3KDM4E
SCHEMBL3982211 0.89 PPARD (0.37) PPARGPPARACHRM3KDM4EALOX15
SCHEMBL3982215 0.89 PPARD (0.37) PPARGPPARACHRM3KDM4EALOX15
SCHEMBL5613806 0.86 PPARG (0.43) PPARGPPARARORCKDM4EALOX15
SCHEMBL3975952 0.82 PPARG (0.54) PPARGPPARA
SCHEMBL3975957 0.82 PPARG (0.54) PPARGPPARA
SCHEMBL3979249 0.77 CALM1 (0.50) RORCLTA4HNPC1RAB9A
SCHEMBL5613856 0.77 PPARG (0.36) PPARGPPARARORCKDM4EALOX15
SCHEMBL3979075 0.74 APP (0.51) NPC1RAB9A

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 23/4885RORC 76/4885

“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.