SCHEMBL17487736

SCHEMBL17487736

CCCC1COC(c2ccc(-c3ccc(CCc4ccc(OC(F)(F)F)c(F)c4)c(F)c3F)cc2)OC1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.33
NAAA Q02083 1/20 0.33
P2RX7 Q99572 2/20 0.31
GRM2 Q14416 1/20 0.31
KCNH2 Q12809 1/20 0.31
HCRTR1 O43613 2/20 0.30
HCRTR2 O43614 2/20 0.30
FFAR4 Q5NUL3 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
SCHEMBL17487734 0.87 CHKA (0.31)
SCHEMBL17487695 0.87 FFAR4 (0.34) CTSKNAAAKCNH2HCRTR1HCRTR2
SCHEMBL17487728 0.85
SCHEMBL17487723 0.85
SCHEMBL17487418 0.81 CTSK (0.36) CTSKNAAAHCRTR1HCRTR2FFAR4
SCHEMBL17487689 0.80 CTSK (0.37) CTSKNAAAGRM2HCRTR1HCRTR2
SCHEMBL17487590 0.80 CTSK (0.37) CTSKNAAAHCRTR1HCRTR2FFAR4
SCHEMBL17487782 0.79
SCHEMBL17487972 0.78 CTSK (0.35) CTSKNAAAGRM2FFAR4
SCHEMBL22877070 0.78 GRM2 (0.31) GRM2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9441161-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2016-09-13 US disclosed
US-9441161-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2016-09-13 US disclosed
US-20160032187-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2016-02-04 US disclosed
US-20160032187-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2016-02-04 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-20160032187-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE OCIAD1, OCIAD2, PIEZO1 CTSK 2692/4885NAAA 4794/4885P2RX7 2831/4885

“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.