SCHEMBL17487967

SCHEMBL17487967

Cc1ccc(OCC2CCC(C3CCC(CCC(F)(F)Oc4cc(F)c(F)c(F)c4)CC3)CC2)c(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.33
PPARD Q03181 4/20 0.33
FFAR4 Q5NUL3 1/20 0.33
P2RX7 Q99572 1/20 0.32
SCN9A Q15858 1/20 0.32
PDE10A Q9Y233 2/20 0.31
PDE2A O00408 1/20 0.31
HTR2A P28223 2/20 0.31
HTR2C P28335 2/20 0.31
HTR2B P41595 2/20 0.31
RIPK1 Q13546 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
SCHEMBL17490456 0.92 SCN9A (0.32) SCN9AHTR2AHTR2CHTR2BRIPK1
SCHEMBL20380616 0.86 SCN9A (0.36) FFAR1PPARDFFAR4P2RX7SCN9A
SCHEMBL20380572 0.83 SCN9A (0.37) FFAR1PPARDFFAR4SCN9APDE10A
SCHEMBL26277391 0.82 RIPK1 (0.39) FFAR1PPARDPDE10AHTR2AHTR2C
SCHEMBL15235148 0.81 FFAR1 (0.36) FFAR1PPARDFFAR4P2RX7SCN9A
SCHEMBL26277379 0.80 HTR2A (0.39) FFAR1PPARDPDE10AHTR2AHTR2C
SCHEMBL26277357 0.78 RIPK1 (0.37) FFAR1PPARDPDE10AHTR2AHTR2C
SCHEMBL16871478 0.78 RIPK1 (0.37) FFAR1PPARDPDE10AHTR2AHTR2C
SCHEMBL17355585 0.77 SCN9A (0.32) SCN9AHTR2AHTR2CHTR2BRIPK1
SCHEMBL16769006 0.77 HTR2A (0.36) FFAR1PPARDPDE10AHTR2AHTR2C

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 FFAR1 1307/4885PPARD 4628/4885FFAR4 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.