SCHEMBL17016848

SCHEMBL17016848

CCOc1ccc(OCc2ccc(CCC/C=C(/C)F)cc2)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.38
▸ TACR2 P21452 1/20 0.37
▸ FFAR1 O14842 2/20 0.36
▸ FFAR4 Q5NUL3 2/20 0.36
▸ MTNR1A P48039 3/20 0.36
▸ MTNR1B P49286 3/20 0.36
▸ LMNA P02545 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ EGFR P00533 1/20 0.35
▸ KMT2A Q03164 2/20 0.34
▸ PKM P14618 2/20 0.34
▸ MAPT P10636 3/20 0.34
▸ POLB P06746 2/20 0.34
▸ SMPD1 P17405 1/20 0.34
▸ MITF O75030 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ MRGPRX4 Q96LA9 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 0.88 GAA (0.38) GAATACR2FFAR1FFAR4LMNA
SCHEMBL17021100 0.88 GAA (0.38) GAATACR2FFAR1FFAR4LMNA
SCHEMBL17016851 0.87 GAA (0.39) GAATACR2FFAR1FFAR4MTNR1A
SCHEMBL17016830 0.87 KMT2A (0.33) FFAR4MTNR1AMTNR1BEGFRKMT2A
SCHEMBL17016791 0.86 FFAR4 (0.38) FFAR4EGFRKMT2APKMTP53
SCHEMBL17016925 0.85 FFAR4 (0.37) FFAR4EGFRKMT2APKMTP53
SCHEMBL17021083 0.82 FFAR4 (0.39) GAATACR2FFAR1FFAR4MTNR1A
SCHEMBL17016850 0.82 FFAR4 (0.39) GAATACR2FFAR1FFAR4MTNR1A
SCHEMBL17016853 0.81 RXRG (0.43) GAATACR2FFAR1MTNR1AMTNR1B
SCHEMBL17020997 0.81 RXRG (0.43) GAATACR2FFAR1MTNR1AMTNR1B

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 4682/4885TACR2 3359/4885FFAR1 308/4885

“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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