SCHEMBL12735802

SCHEMBL12735802

C=CCCOc1ccc(C2CCC(COc3ccc(C4CCC(C)CC4)c(F)c3F)CC2)c(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 4/20 0.40
HPGD P15428 3/20 0.36
ALOX5AP P20292 3/20 0.34
FEN1 P39748 3/20 0.34
CNR2 P34972 6/20 0.33
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
HTR2B P41595 2/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL12740631 1.00 SCN9A (0.40) SCN9AHPGDALOX5APFEN1CNR2
SCHEMBL12735809 0.95 SCN9A (0.39) SCN9AHPGDALOX5APFEN1CNR2
SCHEMBL12740632 0.95 SCN9A (0.39) SCN9AHPGDALOX5APFEN1CNR2
SCHEMBL12733641 0.93 KDM4E (0.36) SCN9AHTR2AHTR2CHTR2BKDM4E
SCHEMBL12735875 0.91 SCN9A (0.39) SCN9AHPGDHTR2AHTR2CHTR2B
SCHEMBL12735935 0.90 SCN9A (0.40) SCN9AHPGD
SCHEMBL14766939 0.90 LRRK2 (0.33) SCN9AALOX5APFEN1CNR2HTR2A
SCHEMBL10302335 0.90 ALOX5AP (0.33) SCN9AHPGDALOX5APFEN1CNR2
SCHEMBL14766031 0.90 LRRK2 (0.33) SCN9AALOX5APFEN1CNR2HTR2A
SCHEMBL12140874 0.90 KDM4E (0.34) SCN9AKDM4E

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 4781/4885ALOX5AP 1673/4885

“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.