SCHEMBL9924801

SCHEMBL9924801

CCCC1CCC(/C=C/C2CCC3CC(COc4ccc(OCC)c(F)c4F)CCC3C2)CC1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.32
KDM1A O60341 2/20 0.31
HTR2A P28223 2/20 0.31
HTR2C P28335 2/20 0.31
HTR2B P41595 2/20 0.31
ACACB O00763 2/20 0.30
TLR4 O00206 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
SCHEMBL9924937 0.99 TLR4 (0.32) SCN9AKDM1AHTR2AHTR2CHTR2B
SCHEMBL9925140 0.96 ACACB (0.30) SCN9AACACB
SCHEMBL9924853 0.95 HTR2A (0.33) SCN9AKDM1AHTR2AHTR2CHTR2B
SCHEMBL9924931 0.95 SCN9A (0.34) SCN9AKDM1AHTR2AHTR2CHTR2B
SCHEMBL9925024 0.94 HTR2A (0.32) KDM1AHTR2AHTR2CHTR2BACACB
SCHEMBL9925085 0.94 HTR2A (0.32) KDM1AHTR2AHTR2CHTR2BACACB
SCHEMBL9925019 0.94 HTR2A (0.32) KDM1AHTR2AHTR2CHTR2BACACB
SCHEMBL9925176 0.91 HTR2A (0.31) HTR2AHTR2CHTR2BACACB
SCHEMBL9925089 0.91 HTR2A (0.33) SCN9AKDM1AHTR2AHTR2CHTR2B
SCHEMBL15220735 0.91 RIPK1 (0.35) KDM1AHTR2AHTR2CHTR2BTLR4

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2468707-B1 DECAHYDRONAPHTHALENE COMPOUNDS, LIQUID CRYSTAL COMPOSITIONS CONTAINING THE COMPOUNDS, AND LIQUID CRYSTAL DISPLAY DEVICES CONTAINING THE LIQUID CRYSTAL COMPOSITIONS JNC CORP (JP) 2017-08-02 EP disclosed
US-8465674-B2 Decahydronaphthalene compound, liquid crystal composition including the compound and liquid crystal display device containing the liquid crystal composition JNC CORPORATION (JP) 2013-06-18 US disclosed
US-8465674-B2 Decahydronaphthalene compound, liquid crystal composition including the compound and liquid crystal display device containing the liquid crystal composition JNC CORPORATION (JP) 2013-06-18 US disclosed
EP-2468707-A1 DECAHYDRONAPHTHALENE COMPOUNDS, LIQUID CRYSTAL COMPOSITIONS CONTAINING THE COMPOUNDS, AND LIQUID CRYSTAL DISPLAY ELEMENTS CONTAINING THE LIQUID CRYSTAL COMPOSITIONS JNC Corporation (JP) 2012-06-27 EP disclosed
US-20120145959-A1 DECAHYDRONAPHTHALENE COMPOUND, LIQUID CRYSTAL COMPOSITION INCLUDING THE COMPOUND AND LIQUID CRYSTAL DISPLAY DEVICE CONTAINING THE LIQUID CRYSTAL COMPOSITION JNC PETROCHEMICAL CORPORATION (JP) 2012-06-14 US disclosed
US-20120145959-A1 DECAHYDRONAPHTHALENE COMPOUND, LIQUID CRYSTAL COMPOSITION INCLUDING THE COMPOUND AND LIQUID CRYSTAL DISPLAY DEVICE CONTAINING THE LIQUID CRYSTAL COMPOSITION JNC PETROCHEMICAL CORPORATION (JP) 2012-06-14 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-20120145959-A1 DECAHYDRONAPHTHALENE COMPOUND, LIQUID CRYSTAL COMPOSITION INCLUDING THE COMPOUND AND LIQUID CRYSTAL DISPLAY DEVICE CONTAINING THE LIQUID CRYSTAL COMPOSITION DCUN1D2, OCIAD1, CPNE4 SCN9A 3847/4885KDM1A 1725/4885HTR2A 2992/4885

“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.