SCHEMBL17016846

SCHEMBL17016846

CCOc1ccc(OCc2ccc(CC/C=C/CF)cc2)c(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 4/20 0.40
▸ TACR2 P21452 1/20 0.39
▸ EGFR P00533 1/20 0.38
▸ MAPT P10636 5/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ PKM P14618 2/20 0.35
▸ NTSR1 P30989 1/20 0.35
▸ FFAR1 O14842 2/20 0.35
▸ FFAR4 Q5NUL3 2/20 0.35
▸ HTR1A P08908 1/20 0.35
▸ ADRA1D P25100 1/20 0.35
▸ ADRA1A P35348 1/20 0.35
▸ ADRA1B P35368 1/20 0.35
▸ LMNA P02545 2/20 0.34
▸ SMN1; SMN2 Q16637 4/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KMT2A Q03164 4/20 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
SCHEMBL17021116 1.00 GAA (0.40) GAATACR2EGFRMAPTKDM4E
SCHEMBL17020998 0.91 TACR2 (0.39) GAATACR2EGFRMAPTKDM4E
SCHEMBL17016856 0.91 TACR2 (0.39) GAATACR2EGFRMAPTKDM4E
SCHEMBL17021076 0.86 EGFR (0.34) EGFRPKMFFAR4KMT2AMAPK1
SCHEMBL17016826 0.86 EGFR (0.34) EGFRPKMFFAR4KMT2AMAPK1
SCHEMBL17016787 0.85 FFAR4 (0.37) EGFRPKMFFAR4KMT2ATP53
SCHEMBL17021050 0.85 FFAR4 (0.37) EGFRPKMFFAR4KMT2ATP53
SCHEMBL17016849 0.84 PKM (0.41) GAATACR2EGFRMAPTKDM4E
SCHEMBL17021078 0.84 PKM (0.41) GAATACR2EGFRMAPTKDM4E
SCHEMBL17016865 0.82 HPGD (0.37) GAAMAPTALDH1A1FFAR4SMN1; SMN2

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 3359/4885EGFR 735/4885

“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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