SCHEMBL11939880

SCHEMBL11939880

CCCC(O)c1ccc(C2CCC(OCc3ccc(-c4ccc(OCC)c(F)c4F)cc3F)CC2)c(F)c1F

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 9/20 0.42
▸ FPR2 P25090 3/20 0.33
▸ FGFR1 P11362 1/20 0.32
▸ FGFR2 P21802 1/20 0.32
▸ ESR1 P03372 1/20 0.31
▸ CTSK P43235 1/20 0.31
▸ FFAR4 Q5NUL3 1/20 0.31
▸ FAAH O00519 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
SCHEMBL11939349 0.90 NAAA (0.44) NAAAFPR2FGFR1FGFR2ESR1
SCHEMBL11938847 0.90 FPR2 (0.36) FPR2FGFR1FGFR2FFAR4FAAH
SCHEMBL12836554 0.90 NAAA (0.34) NAAAFPR2
SCHEMBL11939207 0.89 NAAA (0.32) NAAAFPR2
SCHEMBL11939329 0.89 NAAA (0.32) NAAAFPR2
SCHEMBL15381764 0.89 NAAA (0.50) NAAAFPR2FGFR1FGFR2CTSK
SCHEMBL10303226 0.88 NAAA (0.33) NAAA
SCHEMBL11946304 0.88 FPR2 (0.32) NAAAFPR2FFAR4
SCHEMBL11938866 0.86 ALOX5AP (0.33) NAAA
SCHEMBL10303327 0.86 NAAA (0.39) NAAA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 4102/4885FPR2 804/4885FGFR1 136/4885

“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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