SCHEMBL16263370

SCHEMBL16263370

O=C(OCCOCC(F)(F)F)C(F)(F)COCCOCC(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.39
ALDH1A1 P00352 5/20 0.33
THRB P10828 1/20 0.33
EPHX2 P34913 1/20 0.32
PLA2G2C Q5R387 1/20 0.30
TSHR P16473 3/20 0.30
TP53 P04637 2/20 0.30
HIF1A Q16665 2/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL6732747 0.85 HTT (0.40) HTTALDH1A1THRBEPHX2PLA2G2C
SCHEMBL16263362 0.82 PLA2G2C (0.35) HTTEPHX2PLA2G2C
SCHEMBL22735038 0.80 HTT (0.43) HTTALDH1A1THRBEPHX2PLA2G2C
SCHEMBL17736192 0.77 THRB (0.40) HTTALDH1A1THRBPLA2G2CTSHR
SCHEMBL6730205 0.77 ALDH1A1 (0.56) HTTALDH1A1THRBEPHX2PLA2G2C
SCHEMBL9936878 0.75 HTT (0.43) HTTALDH1A1THRBEPHX2PLA2G2C
SCHEMBL17489563 0.75 HTT (0.39) HTTALDH1A1THRBEPHX2PLA2G2C
SCHEMBL9936958 0.75 HTT (0.39) HTTALDH1A1THRBEPHX2PLA2G2C
SCHEMBL1591167 0.74 CA1 (0.35) HTTALDH1A1EPHX2
SCHEMBL9936931 0.73 NAAA (0.44) HTTALDH1A1THRBEPHX2PLA2G2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140350181-A1 HYDRO-FLUOROCOMPOUNDS SOLVAY SPECIALTY POLYMERS ITALY S.P.A. (IT) 2014-11-27 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-20140350181-A1 HYDRO-FLUOROCOMPOUNDS AFF4, AFF1, HAX1 HTT 744/4885ALDH1A1 2153/4885THRB 2966/4885

“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.