SCHEMBL2476108

SCHEMBL2476108

Nc1ccc(CN2CCN(Cc3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)CC2)cc1F

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RORC P51449 15/20 0.55
PPARG P37231 1/20 0.53
ALDH1A1 P00352 2/20 0.42
HTT P42858 1/20 0.42
KDM4E B2RXH2 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42

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
SCHEMBL1869552 0.87 RORC (0.51) RORCPPARGALDH1A1CHRM2CHRM1
SCHEMBL1512395 0.85 RORC (0.56) RORC
SCHEMBL12274893 0.83 RORC (0.44) RORCPPARGALDH1A1KDM4E
SCHEMBL1512376 0.82 RORC (0.54) RORCPPARGALDH1A1KDM4E
SCHEMBL1872502 0.81 RORC (0.46) RORCPPARGCHRM2CHRM1CHRM3
SCHEMBL15853615 0.80 RORC (0.77) RORCPPARGALDH1A1KDM4E
SCHEMBL1874306 0.78 RORC (0.49) RORCPPARG
SCHEMBL2474148 0.78 RORC (0.53) RORC
SCHEMBL2469997 0.77 RORC (0.58) RORC
SCHEMBL13974908 0.77 RORC (0.89) RORCPPARG

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8357679-B2 Hexafluoroisopropanol derivatives MSD OSS B.V. (NL) 2013-01-22 US disclosed
EP-2297118-B1 N- (1, 1, 1, 3, 3, 3-HEXAFLUORO-2-HYDROXYPROPAN-2-YL) BENZYL-N' -ARYLCARBONYLPIPERAZ INE DERIVATIVES AS LXR MODULATORS ORGANON NV (NL) 2011-10-05 EP disclosed
US-20100029621-A1 HEXAFLUOROISOPROPANOL DERIVATIVES MERCK SHARP & DOHME B.V. (NL) 2010-02-04 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-20100029621-A1 HEXAFLUOROISOPROPANOL DERIVATIVES FFAR2, FFAR3, FFAR1 RORC 1818/4885PPARG 52/4885ALDH1A1 1675/4885

“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.