SCHEMBL11933354

SCHEMBL11933354

CCOc1ccc(-c2ccc(C(=O)OC3CCC(c4ccc(C)c(F)c4F)CC3)c(F)c2)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 2/20 0.38
▸ CAMKK1 Q8N5S9 2/20 0.36
▸ CAMKK2 Q96RR4 2/20 0.36
▸ FFAR4 Q5NUL3 3/20 0.35
▸ FGFR1 P11362 1/20 0.35
▸ FGFR2 P21802 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35
▸ FPR2 P25090 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ KDM1A O60341 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RXRA P19793 1/20 0.33
▸ RXRB P28702 1/20 0.33
▸ RXRG P48443 1/20 0.33
▸ DHODH Q02127 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ KLKB1 P03952 1/20 0.33
▸ SCN9A Q15858 2/20 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
SCHEMBL15381766 0.95 NAAA (0.41) NAAACAMKK1CAMKK2FFAR4FGFR1
SCHEMBL11933356 0.94 NAAA (0.37) NAAAFFAR4SLC6A3FPR2L3MBTL1
SCHEMBL11933357 0.93 SCN9A (0.40) NAAAFFAR4SCN9A
SCHEMBL11933261 0.93 FFAR4 (0.37) NAAACAMKK1CAMKK2FFAR4FGFR1
SCHEMBL15381581 0.90 SCN9A (0.41) NAAACAMKK1CAMKK2FFAR4FGFR1
SCHEMBL11933255 0.89 MAPT (0.37) CAMKK1CAMKK2FFAR4FPR2MAPT
SCHEMBL11933347 0.89 MAPT (0.37) CAMKK1CAMKK2FFAR4FPR2MAPT
SCHEMBL11939359 0.89 NAAA (0.37) NAAACAMKK1CAMKK2FFAR4FGFR1
SCHEMBL15381617 0.88 FFAR4 (0.39) NAAACAMKK1CAMKK2FFAR4FGFR1
SCHEMBL10091360 0.88 ALOX5AP (0.39) FFAR4FGFR1FGFR2FPR2MAPT

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 4102/4885CAMKK1 2966/4885CAMKK2 3813/4885

“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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