SCHEMBL3976645

SCHEMBL3976645

COC(=O)c1ccc(-c2nc(COc3cccc(C(O)(C(F)(F)F)C(F)(F)F)c3)c(C)o2)cc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.54
TP53 P04637 5/20 0.53
POLB P06746 2/20 0.51
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
KDR P35968 1/20 0.49
PPARG P37231 5/20 0.49
PPARA Q07869 5/20 0.49
CYP2C9 P11712 1/20 0.48
KCNH2 Q12809 1/20 0.48

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
SCHEMBL3980064 0.91 MAPT (0.54) MAPTTP53POLBKDRPPARG
SCHEMBL3982502 0.88 PPARG (0.51) MAPTTP53POLBKDRPPARG
SCHEMBL3978225 0.83 KDR (0.54) KDRPPARGPPARACYP2C9KCNH2
SCHEMBL3981452 0.83 NR1H2 (0.60) MAPTMEN1KMT2AKDRPPARG
SCHEMBL3979271 0.81 NR1H2 (0.60) KDRPPARGPPARACYP2C9KCNH2
SCHEMBL3975942 0.79 KDR (0.49) MAPTTP53POLBKDRPPARG
SCHEMBL3980332 0.78 MRGPRX4 (0.53) MAPTPPARGPPARA
SCHEMBL3278854 0.78 MAPT (0.68) MAPTTP53POLBKDRPPARG
SCHEMBL12468785 0.78 TP53 (0.67) MAPTTP53POLBPPARGPPARA
SCHEMBL3981024 0.77 PPARG (0.51) MAPTTP53POLBMEN1KMT2A

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 MAPT 4494/4885TP53 4656/4885POLB 3695/4885

“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.