SCHEMBL3981981

SCHEMBL3981981

O=C(O)Cc1cccc(OCCOc2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G4B P0C869 2/20 0.53
CYP4F2 P78329 1/20 0.48
CYP4A11 Q02928 1/20 0.48
MLYCD O95822 2/20 0.48
NR1H3 Q13133 6/20 0.45
NR1H2 P55055 5/20 0.45
RXRA P19793 2/20 0.45
MEN1 O00255 1/20 0.45
NR1I2 O75469 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
VHL P40337 1/20 0.45
RECQL P46063 1/20 0.45
BLM P54132 1/20 0.45
KMT2A Q03164 1/20 0.45
FFAR1 O14842 1/20 0.44
PPARD Q03181 4/20 0.43
PPARG P37231 2/20 0.43
PPARA Q07869 2/20 0.43
MRGPRX4 Q96LA9 1/20 0.43

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
SCHEMBL3979033 0.87 NR1H2 (0.47) PLA2G4BMLYCDNR1H3NR1H2MEN1
SCHEMBL3977237 0.87 NR1H2 (0.48) PLA2G4BMLYCDNR1H3NR1H2RXRA
SCHEMBL25081992 0.82 PLA2G4B (0.62) PLA2G4BCYP4F2CYP4A11NR1H3KMT2A
SCHEMBL30278809 0.82 PLA2G4B (0.62) PLA2G4BCYP4F2CYP4A11NR1H3KMT2A
SCHEMBL3984284 0.78 KDM4E (0.44) MLYCDNR1H3NR1H2ALDH1A1KMT2A
SCHEMBL25081996 0.78 PLA2G4B (0.58) PLA2G4BCYP4F2CYP4A11NR1H3FFAR1
SCHEMBL25081995 0.78 PLA2G4B (0.58) PLA2G4BCYP4F2CYP4A11NR1H3FFAR1
SCHEMBL10680256 0.78 CYP1A2 (0.56) MLYCDNR1H3NR1H2RXRAMEN1
SCHEMBL25081997 0.78 PLA2G4B (0.58) PLA2G4BCYP4F2CYP4A11NR1H3FFAR1
SCHEMBL30278808 0.78 PLA2G4B (0.58) PLA2G4BCYP4F2CYP4A11NR1H3FFAR1

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 8 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
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 PLA2G4B 1680/4885CYP4F2 82/4885CYP4A11 66/4885

“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.