SCHEMBL17016852

SCHEMBL17016852

CCOc1ccc(OCc2ccc(CC/C=C(\F)CF)c(F)c2F)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 2/20 0.38
▸ FFAR4 Q5NUL3 6/20 0.33
▸ KDM4E B2RXH2 3/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ MAPT P10636 2/20 0.31
▸ XBP1 P17861 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ LMNA P02545 2/20 0.31
▸ HPGD P15428 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ GAA P10253 2/20 0.31
▸ L3MBTL1 Q9Y468 2/20 0.31
▸ POLB P06746 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ BLM P54132 1/20 0.31
▸ CTSL P07711 1/20 0.30
▸ CTSS P25774 1/20 0.30
▸ CTSK P43235 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
SCHEMBL17020999 1.00 PKM (0.38) PKMFFAR4KDM4EMEN1ALDH1A1
SCHEMBL17016839 0.93 PKM (0.33) PKMFFAR4TDP1L3MBTL1CTSL
SCHEMBL17021081 0.93 PKM (0.33) PKMFFAR4TDP1L3MBTL1CTSL
SCHEMBL17021070 0.90 CTSS (0.40) PKML3MBTL1CTSLCTSSCTSK
SCHEMBL17016809 0.90 CTSS (0.40) PKML3MBTL1CTSLCTSSCTSK
SCHEMBL17021112 0.86 CALM1 (0.34) PKMFFAR4KMT2AGAACTSL
SCHEMBL17016829 0.86 CALM1 (0.34) PKMFFAR4KMT2AGAACTSL
SCHEMBL17016845 0.83 GAA (0.41) PKMFFAR4KDM4EMEN1ALDH1A1
SCHEMBL17021079 0.83 GAA (0.41) PKMFFAR4KDM4EMEN1ALDH1A1
SCHEMBL17016812 0.82 CTSS (0.39) PKMFFAR4L3MBTL1CTSLCTSS

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 PKM 3860/4885FFAR4 828/4885KDM4E 2306/4885

“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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