SCHEMBL424103

SCHEMBL424103

CCCCOc1ccc([C@H]2CC[C@H]([C@H]3CC[C@H](c4ccc(OCC)c(F)c4F)CC3)CC2)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP2D6 P10635 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HTR1D P28221 2/20 0.35
HTR1B P28222 2/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PPARD Q03181 1/20 0.34
KDM1A O60341 2/20 0.33
CYP2C9 P11712 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PDE4A P27815 2/20 0.33
PDE4B Q07343 2/20 0.33
PDE4C Q08493 2/20 0.33
PDE4D Q08499 2/20 0.33
HTR2C P28335 2/20 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
SCHEMBL428860 1.00 SCN9A (0.38) SCN9AL3MBTL1CYP1A2CYP2C19CYP2D6
SCHEMBL14922537 0.96 L3MBTL1 (0.41) SCN9AL3MBTL1CYP1A2CYP2C19CYP2D6
SCHEMBL1242503 0.96 L3MBTL1 (0.41) SCN9AL3MBTL1CYP1A2CYP2C19CYP2D6
SCHEMBL14922509 0.95 SCN9A (0.36) SCN9AL3MBTL1CYP1A2CYP2C19CYP2D6
SCHEMBL14922579 0.94 SCN9A (0.35) SCN9AL3MBTL1CYP1A2CYP2C19CYP2D6
SCHEMBL16769028 0.93 HTR1D (0.40) SCN9ACYP1A2CYP2C19HTR1DHTR1B
SCHEMBL16768994 0.93 SCN9A (0.38) SCN9AL3MBTL1CYP1A2CYP2C19TDP1
SCHEMBL14922527 0.93 SCN9A (0.42) SCN9AL3MBTL1CYP1A2CYP2C19CYP2D6
SCHEMBL19199307 0.92 SCN9A (0.34) SCN9AL3MBTL1CYP1A2CYP2C19CYP2D6
SCHEMBL14922510 0.92 SCN9A (0.37) SCN9ACYP1A2CYP2C19HTR1DHTR1B

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-20120018672-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO PETROCHEMICAL CORPORATION (JP) 2012-01-26 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-20120018672-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE ROCK2, ROCK1, LEF1 SCN9A 2679/4885L3MBTL1 458/4885CYP1A2 1044/4885

“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.