SCHEMBL11933349

SCHEMBL11933349

CCCCOc1ccc(-c2ccc(C(=O)OC3CCC(c4ccc(C)c(F)c4F)CC3)c(F)c2F)c(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 1/20 0.37
▸ CNR2 P34972 5/20 0.34
▸ CNR1 P21554 3/20 0.34
▸ GRM2 Q14416 2/20 0.34
▸ ALOX5AP P20292 2/20 0.34
▸ FEN1 P39748 2/20 0.34
▸ TSHR P16473 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ FFAR4 Q5NUL3 1/20 0.33
▸ HTR3E A5X5Y0 1/20 0.33
▸ HTR3B O95264 1/20 0.33
▸ HTR3A P46098 1/20 0.33
▸ HTR3D Q70Z44 1/20 0.33
▸ HTR3C Q8WXA8 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ HTT P42858 2/20 0.32
▸ TP53 P04637 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ HRH2 P25021 1/20 0.31

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
SCHEMBL11933258 1.00 SCN9A (0.37) SCN9ACNR2CNR1GRM2ALOX5AP
SCHEMBL12197268 0.97 SCN9A (0.35) SCN9ACNR2CNR1GRM2ALOX5AP
SCHEMBL12197191 0.96 SCN9A (0.39) SCN9ACNR2CNR1GRM2ALOX5AP
SCHEMBL15381730 0.95 SCN9A (0.40) SCN9ACNR2CNR1GRM2ALOX5AP
SCHEMBL15381537 0.95 SCN9A (0.40) SCN9ACNR2CNR1GRM2ALOX5AP
SCHEMBL15381743 0.93 SCN9A (0.39) SCN9ACNR2CNR1GRM2ALOX5AP
SCHEMBL15381616 0.93 SCN9A (0.39) SCN9ACNR2CNR1GRM2ALOX5AP
SCHEMBL11933347 0.92 MAPT (0.37) ALOX5APFEN1FFAR4HTTTP53
SCHEMBL11933255 0.92 MAPT (0.37) ALOX5APFEN1FFAR4HTTTP53
SCHEMBL14922609 0.91 SCN9A (0.42) SCN9ACNR2CNR1GRM2TSHR

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 2717/4885CNR2 474/4885CNR1 254/4885

“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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