SCHEMBL17016743

SCHEMBL17016743

CCOc1ccc(-c2ccc(C3CCC(OC)CC3)cc2)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 6/20 0.38
KDM1A O60341 2/20 0.37
FGFR2 P21802 2/20 0.36
FGFR1 P11362 1/20 0.36
PDE4A P27815 2/20 0.33
ALOX5AP P20292 2/20 0.33
FEN1 P39748 2/20 0.33
S1PR1 P21453 1/20 0.33
FFAR4 Q5NUL3 2/20 0.33
NAAA Q02083 1/20 0.33
ESR1 P03372 1/20 0.33

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
SCHEMBL26209577 0.89 KDM1A (0.39) FPR2KDM1AFGFR2FGFR1PDE4A
SCHEMBL17827784 0.89 KDM1A (0.39) FPR2KDM1AFGFR2FGFR1PDE4A
SCHEMBL28559153 0.88 ESR2 (0.41) FPR2KDM1AFGFR2FGFR1FFAR4
SCHEMBL10052063 0.88 ESR2 (0.41) FPR2KDM1AFGFR2FGFR1FFAR4
SCHEMBL16769036 0.88 KDM1A (0.40) FPR2KDM1AFGFR2FGFR1ALOX5AP
SCHEMBL16769035 0.88 CYP3A4 (0.41) FPR2KDM1AFGFR2FGFR1ALOX5AP
SCHEMBL4402648 0.87 KDM1A (0.37) FPR2KDM1AFGFR2FGFR1FFAR4
SCHEMBL21567656 0.87 KDM1A (0.37) FPR2KDM1AFGFR2FGFR1FFAR4
SCHEMBL15256178 0.87 ESR2 (0.40) FPR2KDM1AFGFR2FGFR1FFAR4
SCHEMBL17715213 0.87 KDM1A (0.37) FPR2KDM1AFGFR2FGFR1FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9404040-B2 Liquid crystal compound having fluorine-containing alkenyl terminal group, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2016-08-02 US disclosed
US-20150232759-A1 Liquid crystal compound having fluorine-containing alkenyl terminal group, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2015-08-20 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-20150232759-A1 Liquid crystal compound having fluorine-containing alkenyl terminal group, liquid crystal composition and liquid crystal display device PYM1, CXCR1, LEO1 FPR2 258/4885KDM1A 887/4885FGFR2 243/4885

“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.