SCHEMBL17487982

SCHEMBL17487982

CCCCCC1CCC(c2ccc(-c3ccc(CCc4ccc(-c5ccc(OC(F)(F)F)c(F)c5)c(F)c4)c(F)c3)c(F)c2F)CC1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.36
NAAA Q02083 1/20 0.36
FFAR4 Q5NUL3 1/20 0.33
HCRTR1 O43613 5/20 0.31
HCRTR2 O43614 5/20 0.31
GRM2 Q14416 1/20 0.31
PPARD Q03181 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
SCHEMBL17487972 0.89 CTSK (0.35) CTSKNAAAFFAR4GRM2
SCHEMBL17490454 0.88 CTSK (0.39) CTSKNAAAFFAR4HCRTR1HCRTR2
SCHEMBL17487978 0.87 FFAR4 (0.33) FFAR4
SCHEMBL17487816 0.84 HCRTR1 (0.35) CTSKNAAAFFAR4HCRTR1HCRTR2
SCHEMBL17487985 0.84 RARB (0.34) FFAR4
SCHEMBL12739990 0.82 LYPLA1 (0.36) NAAAFFAR4
SCHEMBL17487980 0.82 RARB (0.39) FFAR4
SCHEMBL8747919 0.82 SPHK1 (0.34) CTSKNAAAHCRTR1HCRTR2
SCHEMBL17487973 0.81 RARB (0.32) FFAR4
SCHEMBL12740001 0.81 FFAR4 (0.36) NAAAFFAR4

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-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

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 4794/4885FFAR4 1903/4885

“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.