SCHEMBL12736610

SCHEMBL12736610

CCCCOc1ccc(C2CCC(OCc3ccc(C4CCC(C)CC4)c(F)c3F)CC2)c(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.33
HTR1A P08908 1/20 0.32
NAAA Q02083 1/20 0.31
HPGD P15428 1/20 0.31
HTR1D P28221 1/20 0.30
HTR1B P28222 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
SCHEMBL12740212 1.00 SCN9A (0.33) SCN9AHTR1ANAAAHPGDHTR1D
SCHEMBL12736612 0.97 HTR1A (0.31) SCN9AHTR1ANAAA
SCHEMBL12740214 0.97 HTR1A (0.31) SCN9AHTR1ANAAA
SCHEMBL12736616 0.96 CNR2 (0.32) SCN9AHTR1ANAAA
SCHEMBL12740218 0.96 CNR2 (0.32) SCN9AHTR1ANAAA
SCHEMBL12740217 0.96 CNR2 (0.32) SCN9AHTR1ANAAA
SCHEMBL12740215 0.96 CNR2 (0.32) SCN9AHTR1ANAAA
SCHEMBL12736615 0.96 CNR2 (0.32) SCN9AHTR1ANAAA
SCHEMBL12736614 0.96 CNR2 (0.32) SCN9AHTR1ANAAA
SCHEMBL14922571 0.95 SCN9A (0.35) SCN9AHTR1ANAAAHTR1DHTR1B

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-8394294-B2 Four-ring liquid crystal compound having lateral fluorine, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-03-12 US disclosed
US-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2011-04-21 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-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE LEF1, LAS1L, EFHD2 SCN9A 2503/4885HTR1A 484/4885NAAA 3997/4885

“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.