SCHEMBL3980376

SCHEMBL3980376

CCOC(=O)CCc1cccc(OCCCOc2cccc(C(OCc3ccc(OC)cc3)(C(F)(F)F)C(F)(F)F)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.42
PPARA Q07869 2/20 0.42
PPARG P37231 1/20 0.42
SLC2A1 P11166 2/20 0.41
ALDH1A1 P00352 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
MAPT P10636 1/20 0.41
CACNA1B Q00975 2/20 0.40
CYP2D6 P10635 2/20 0.40
PDK2 Q15119 2/20 0.39
CYSLTR2 Q9NS75 1/20 0.39
CYSLTR1 Q9Y271 1/20 0.39
P2RY10 O00398 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LTA4H P09960 1/20 0.38

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
SCHEMBL3976505 0.81 PPARA (0.49) PPARAPPARGTDP1CACNA1BCYP2D6
SCHEMBL3983187 0.80 APP (0.42) SLC2A1TDP1
SCHEMBL3984342 0.79 APP (0.43) FFAR1SLC2A1TDP1
SCHEMBL2891622 0.76 TDP1 (0.56) FFAR1PPARAPPARGSLC2A1ALDH1A1
SCHEMBL9170539 0.74 PPARA (0.57) PPARAPPARGTDP1CYP2D6CYSLTR2
SCHEMBL1802183 0.74 ALDH1A1 (0.56) PPARAPPARGALDH1A1TDP1MAPT
SCHEMBL9168060 0.73 PPARA (0.61) PPARAPPARGTDP1CYP2D6P2RY10
SCHEMBL3979272 0.72 NLRP3 (0.43) ALDH1A1TDP1MAPT
SCHEMBL10733098 0.72 FFAR1 (0.60) FFAR1PPARAPPARGALDH1A1CYP2D6
SCHEMBL10444982 0.71 PPARA (0.61) PPARAPPARGALDH1A1TDP1P2RY10

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 FFAR1 9/4885PPARA 23/4885PPARG 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.