SCHEMBL3985328

SCHEMBL3985328

COc1ccc(COC(c2ccc(O)c(Cl)c2)(C(F)(F)F)C(F)(F)F)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.39
ALOX15 P16050 1/20 0.39
HSP90AA1 P07900 2/20 0.39
ADCYAP1R1 P41586 1/20 0.38
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
GCGR P47871 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CALM1 P0DP23 2/20 0.37
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALOX5 P09917 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
SCHEMBL3983212 0.87 IGF1R (0.40) IGF1RALOX15CALM1NFKB1NFKB2
SCHEMBL3979249 0.83 CALM1 (0.50) CALM1
SCHEMBL3981322 0.81 PPARD (0.43) L3MBTL1
SCHEMBL3979272 0.81 NLRP3 (0.43) MEN1KMT2ACALM1
SCHEMBL3984398 0.80 KDM4E (0.47)
SCHEMBL3978166 0.79 ALOX5 (0.43) MEN1KMT2ACALM1NFKB1NFKB2
SCHEMBL7759884 0.75 LMNA (0.44) IGF1RALOX15HSP90AA1KMT2ALMNA
SCHEMBL3979075 0.74 APP (0.51) HTT
SCHEMBL31662278 0.74 APP (0.51) IGF1RALOX15
SCHEMBL3979486 0.73 PPARD (0.42)

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 IGF1R 360/4885ALOX15 1615/4885HSP90AA1 3872/4885

“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.