SCHEMBL17017066

SCHEMBL17017066

CCOc1ccc(-c2ccc(OC(=O)c3ccc(C4CCC(/C=C(\F)CF)CC4)cc3)cc2)c(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.33
▸ THRB P10828 2/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ FFAR4 Q5NUL3 2/20 0.33
▸ ALOX5AP P20292 1/20 0.32
▸ FEN1 P39748 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ CCNC P24863 2/20 0.31
▸ CDK8 P49336 2/20 0.31
▸ HPGD P15428 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ HCRTR1 O43613 1/20 0.30
▸ HCRTR2 O43614 1/20 0.30
▸ SSTR5 P35346 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
SCHEMBL17016754 0.89 FPR2 (0.34) FFAR4
SCHEMBL17017044 0.85 FFAR4 (0.40) MAPTKMT2AFFAR4ALDH1A1SMN1; SMN2
SCHEMBL17017024 0.85 FFAR4 (0.36) FFAR4
SCHEMBL17016755 0.82 FPR2 (0.34) FFAR4
SCHEMBL17016751 0.82 FPR2 (0.34) FFAR4
SCHEMBL22277489 0.81 CYP2C9 (0.36) MAPTTHRBKMT2AFFAR4ALOX5AP
SCHEMBL17017065 0.79 HPGD (0.40) KMT2AFFAR4SMN1; SMN2HPGDTP53
SCHEMBL17016750 0.79 FPR2 (0.35) KMT2AFFAR4ALDH1A1
SCHEMBL17016749 0.79 FPR2 (0.35) KMT2AFFAR4ALDH1A1
SCHEMBL17016746 0.79 FPR2 (0.35) FFAR4

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 MAPT 777/4885THRB 4315/4885KMT2A 1895/4885

“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.

Send feedback