SCHEMBL17021100

SCHEMBL17021100

CCOc1ccc(OCc2ccc(-c3ccc(CCC=C(C)F)cc3)cc2)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.38
▸ FFAR4 Q5NUL3 4/20 0.36
▸ TACR2 P21452 1/20 0.36
▸ FFAR1 O14842 3/20 0.35
▸ RXRA P19793 1/20 0.35
▸ RXRB P28702 1/20 0.35
▸ RXRG P48443 1/20 0.35
▸ KDM4E B2RXH2 3/20 0.34
▸ LMNA P02545 2/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ MAPT P10636 4/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ PKM P14618 2/20 0.34
▸ POLB P06746 2/20 0.34
▸ GABRA1 P14867 1/20 0.34
▸ GABRB2 P47870 1/20 0.34

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
SCHEMBL17016962 1.00 GAA (0.38) GAAFFAR4TACR2FFAR1RXRA
SCHEMBL17016848 0.88 GAA (0.38) GAAFFAR4TACR2FFAR1KDM4E
SCHEMBL17021137 0.88 FFAR4 (0.35) FFAR4FFAR1RXRARXRBRXRG
SCHEMBL17016942 0.88 FFAR4 (0.35) FFAR4FFAR1RXRARXRBRXRG
SCHEMBL17016788 0.87 FFAR4 (0.41) FFAR4FFAR1RXRARXRBRXRG
SCHEMBL17021105 0.87 FFAR4 (0.41) FFAR4FFAR1RXRARXRBRXRG
SCHEMBL17021083 0.86 FFAR4 (0.39) GAAFFAR4TACR2FFAR1RXRA
SCHEMBL17016850 0.86 FFAR4 (0.39) GAAFFAR4TACR2FFAR1RXRA
SCHEMBL17016986 0.84 MAPT (0.39) FFAR4RXRARXRBRXRGMAPT
SCHEMBL17021096 0.84 MAPT (0.39) FFAR4RXRARXRBRXRGMAPT

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 GAA 4682/4885FFAR4 828/4885TACR2 3359/4885

“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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