SCHEMBL11933356

SCHEMBL11933356

CCCOc1ccc(-c2ccc(C(=O)OC3CCC(c4ccc(C)c(F)c4F)CC3)c(F)c2)c(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 2/20 0.37
▸ FFAR4 Q5NUL3 4/20 0.35
▸ FPR2 P25090 1/20 0.35
▸ SCN9A Q15858 1/20 0.35
▸ PPARD Q03181 3/20 0.34
▸ FFAR1 O14842 2/20 0.34
▸ PPARA Q07869 2/20 0.33
▸ PPARG P37231 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ ACACB O00763 1/20 0.33
▸ RARA P10276 1/20 0.33
▸ RARB P10826 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ KDM1A O60341 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ GRM2 Q14416 1/20 0.32

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
SCHEMBL11933357 0.96 SCN9A (0.40) NAAAFFAR4SCN9APPARDFFAR1
SCHEMBL11933354 0.94 NAAA (0.38) NAAAFFAR4FPR2SCN9ASLC6A3
SCHEMBL11933263 0.93 FFAR4 (0.35) NAAAFFAR4FPR2SCN9APPARD
SCHEMBL15381581 0.90 SCN9A (0.41) NAAAFFAR4FPR2SCN9APPARD
SCHEMBL15381766 0.89 NAAA (0.41) NAAAFFAR4FPR2L3MBTL1NPC1
SCHEMBL11933264 0.89 SCN9A (0.38) FFAR4SCN9APPARDFFAR1PPARA
SCHEMBL11933261 0.87 FFAR4 (0.37) NAAAFFAR4FPR2PPARDFFAR1
SCHEMBL11933127 0.86 FPR2 (0.39) FFAR4FPR2PPARDFFAR1ACACB
SCHEMBL11933352 0.85 PDE4D (0.35) FFAR4FPR2SCN9APPARDFFAR1
SCHEMBL11933258 0.85 SCN9A (0.37) FFAR4SCN9AALDH1A1LMNAGRM2

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 NAAA 4102/4885FFAR4 1038/4885FPR2 804/4885

“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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