SCHEMBL12735809

SCHEMBL12735809

C=CCCCOc1ccc(C2CCC(COc3ccc(C4CCC(C)CC4)c(F)c3F)CC2)c(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 4/20 0.39
HPGD P15428 3/20 0.36
KDM4E B2RXH2 2/20 0.35
ALOX5AP P20292 3/20 0.34
FEN1 P39748 3/20 0.34
CNR2 P34972 5/20 0.33
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
HTR2B P41595 2/20 0.33
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 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
SCHEMBL12740632 1.00 SCN9A (0.39) SCN9AHPGDKDM4EALOX5APFEN1
SCHEMBL12735802 0.95 SCN9A (0.40) SCN9AHPGDKDM4EALOX5APFEN1
SCHEMBL12740631 0.95 SCN9A (0.40) SCN9AHPGDKDM4EALOX5APFEN1
SCHEMBL12733654 0.93 KDM4E (0.38) SCN9AKDM4EHTR2AHTR2CHTR2B
SCHEMBL12735878 0.91 SCN9A (0.38) SCN9AHPGDKDM4EHTR2AHTR2C
SCHEMBL12735953 0.90 SCN9A (0.39) SCN9AHPGD
SCHEMBL10302336 0.90 ALOX5AP (0.33) SCN9AHPGDALOX5APFEN1CNR2
SCHEMBL23968127 0.90 KDM4E (0.36) KDM4EALDH1A1MAPK1
SCHEMBL12740694 0.89 SCN9A (0.39) SCN9AHPGD
SCHEMBL12740661 0.89 FFAR1 (0.38) SCN9AHPGD

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 2503/4885HPGD 4781/4885KDM4E 2690/4885

“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.