SCHEMBL17021080

SCHEMBL17021080

CCOc1ccc(OC(=O)c2ccc(CCC=CCCF)cc2)c(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.37
▸ KMT2A Q03164 5/20 0.36
▸ MAPT P10636 4/20 0.36
▸ THRB P10828 1/20 0.36
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ USP2 O75604 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ CREBBP Q92793 1/20 0.35
▸ MAPK1 P28482 1/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ MITF O75030 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ NFKB2 Q00653 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
SCHEMBL17016871 1.00 HPGD (0.37) HPGDKMT2AMAPTTHRBNPC1
SCHEMBL17016865 0.93 HPGD (0.37) HPGDKMT2AMAPTTHRBNPC1
SCHEMBL17021048 0.93 HPGD (0.37) HPGDKMT2AMAPTTHRBNPC1
SCHEMBL17021086 0.83 HPGD (0.38) HPGDKMT2AMAPTTHRBNPC1
SCHEMBL17016867 0.83 HPGD (0.38) HPGDKMT2AMAPTTHRBNPC1
SCHEMBL17016856 0.82 TACR2 (0.39) HPGDKMT2AMAPTNPC1RAB9A
SCHEMBL17020998 0.82 TACR2 (0.39) HPGDKMT2AMAPTNPC1RAB9A
SCHEMBL17021096 0.80 MAPT (0.39) HPGDKMT2AMAPTTHRBSMN1; SMN2
SCHEMBL17016986 0.80 MAPT (0.39) HPGDKMT2AMAPTTHRBSMN1; SMN2
SCHEMBL17020990 0.80 EGFR (0.34) KMT2AMAPK1FFAR4

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 HPGD 4702/4885KMT2A 1895/4885MAPT 777/4885

“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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