SCHEMBL11933381

SCHEMBL11933381

CCCCOc1ccc(-c2ccc(OC(=O)C3CCC(c4ccc(C)c(F)c4F)CC3)c(F)c2)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 1/20 0.36
▸ FFAR4 Q5NUL3 6/20 0.36
▸ RARB P10826 2/20 0.35
▸ PPARD Q03181 8/20 0.34
▸ FFAR1 O14842 6/20 0.34
▸ PPARA Q07869 2/20 0.33
▸ PPARG P37231 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ FAAH O00519 1/20 0.33
▸ RARA P10276 1/20 0.33

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
SCHEMBL11933380 0.96 FFAR4 (0.36) SCN9AFFAR4PPARDFFAR1HPGD
SCHEMBL11933239 0.94 SCN9A (0.37) SCN9AFFAR4RARBPPARDFFAR1
SCHEMBL15381588 0.94 HPGD (0.38) SCN9AFFAR4RARBPPARDHPGD
SCHEMBL11933378 0.93 HPGD (0.38) FFAR4PPARDFFAR1HPGD
SCHEMBL11933230 0.90 SCN9A (0.36) SCN9AFFAR4RARBPPARDPPARA
SCHEMBL11933374 0.90 SCN9A (0.36) SCN9AFFAR4RARBPPARDPPARA
SCHEMBL11933238 0.90 FFAR4 (0.36) SCN9AFFAR4PPARDFFAR1HPGD
SCHEMBL15381749 0.88 HPGD (0.41) FFAR4HPGD
SCHEMBL12197322 0.88 SCN9A (0.38) SCN9APPARDPPARAHPGD
SCHEMBL15381724 0.88 HPGD (0.38) SCN9AFFAR4RARBPPARDFFAR1

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-8580147-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-11-12 — — US disclosed
US-20120168677-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2012-07-05 — — 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-20120168677-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE CXCR1, OCIAD1, LEO1 SCN9A 2717/4885FFAR4 1038/4885RARB 1251/4885

“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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