SCHEMBL17017015

SCHEMBL17017015

CCOc1ccc(CCc2ccc(-c3ccc(-c4ccc(/C=C(/C)F)cc4)cc3)cc2)c(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.34
▸ RXRB P28702 1/20 0.34
▸ RXRG P48443 1/20 0.34
▸ SIRT2 Q8IXJ6 1/20 0.34
▸ FFAR4 Q5NUL3 2/20 0.33
▸ GABRA1 P14867 4/20 0.33
▸ GABRB2 P47870 4/20 0.33
▸ PKM P14618 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ S1PR1 P21453 1/20 0.32
▸ S1PR3 Q99500 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ CALM1 P0DP23 2/20 0.32
▸ TUBB1 Q9H4B7 1/20 0.31
▸ AKR1C3 P42330 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ MAPT P10636 1/20 0.31

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
SCHEMBL17021137 0.85 FFAR4 (0.35) RXRARXRBRXRGFFAR4GABRA1
SCHEMBL17016942 0.85 FFAR4 (0.35) RXRARXRBRXRGFFAR4GABRA1
SCHEMBL17017036 0.85 GAA (0.44) RXRARXRBRXRGPKMKMT2A
SCHEMBL9406733 0.82 FFAR4 (0.41) RXRARXRBRXRGFFAR4GABRA1
SCHEMBL9406154 0.82 GABRA1 (0.40) RXRARXRBRXRGFFAR4GABRA1
SCHEMBL17016777 0.79 KMT2A (0.36) FFAR4GABRA1GABRB2PKMKMT2A
SCHEMBL9406582 0.79 RARB (0.41) RXRARXRBRXRGKMT2AGAA
SCHEMBL17016830 0.79 KMT2A (0.33) SIRT2FFAR4PKMKMT2ACALM1
SCHEMBL9405882 0.78 MAPT (0.43) KMT2AGAAKDM4EMEN1MAPT
SCHEMBL17017055 0.78 HPGD (0.41) RXRARXRBRXRGKMT2AGAA

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 RXRA 991/4885RXRB 1521/4885RXRG 2082/4885

“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.

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