SCHEMBL17017017

SCHEMBL17017017

CCOc1ccc(CCc2ccc(C3CCC(c4ccc(/C=C/CF)cc4)CC3)cc2)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 3/20 0.32
KDM1A O60341 2/20 0.32
SIRT2 Q8IXJ6 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
TUBB1 Q9H4B7 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
SCHEMBL17017034 0.87 TACR2 (0.39) KDM1ATUBB1
SCHEMBL17017013 0.86
SCHEMBL17017016 0.85 FFAR4 (0.33) SPHK1KDM1AFFAR4
SCHEMBL17017012 0.85 SPHK1 (0.31) SPHK1KDM1A
SCHEMBL17016994 0.81 KDM1A (0.33) KDM1ATUBB1
SCHEMBL9405767 0.80 CYP2C9 (0.41) SPHK1KDM1A
SCHEMBL9405770 0.80 CYP2C9 (0.41) SPHK1KDM1A
SCHEMBL17017054 0.80 HPGD (0.39)
SCHEMBL17017038 0.80 PDE4B (0.33) KDM1ATUBB1
SCHEMBL22277601 0.79 FFAR4 (0.34) SPHK1KDM1AFFAR4

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 4 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-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
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 SPHK1 1075/4885KDM1A 887/4885SIRT2 3936/4885

“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.