SCHEMBL9925029

SCHEMBL9925029

CCCc1ccc(C2CCC3CC(CCC4CCC(COc5ccc(OCC)c(F)c5F)CC4)CCC3C2)cc1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.33
SCN9A Q15858 1/20 0.32
FFAR4 Q5NUL3 2/20 0.32
SPHK1 Q9NYA1 2/20 0.31
SLC6A3 Q01959 1/20 0.31
CYP2C9 P11712 1/20 0.31
HTR2A P28223 2/20 0.30
HTR2C P28335 2/20 0.30
HTR2B P41595 2/20 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
SCHEMBL9924945 0.95 SPHK1 (0.34) KDM1ASCN9AFFAR4SPHK1SLC6A3
SCHEMBL9924782 0.94 SCN9A (0.35) KDM1ASCN9AFFAR4SPHK1SLC6A3
SCHEMBL9925094 0.93 CYP2C9 (0.34) KDM1ASCN9AFFAR4SPHK1CYP2C9
SCHEMBL9924962 0.93 SCN9A (0.35) KDM1ASCN9AFFAR4SPHK1SLC6A3
SCHEMBL9924918 0.91 SCN9A (0.34) KDM1ASCN9AFFAR4SPHK1SLC6A3
SCHEMBL9925032 0.90 SCN9A (0.34) KDM1ASCN9AFFAR4SPHK1SLC6A3
SCHEMBL9924951 0.90 CYP2C9 (0.35) KDM1ASCN9AFFAR4SPHK1CYP2C9
SCHEMBL9925128 0.90 SCN9A (0.33) KDM1ASCN9AFFAR4SPHK1SLC6A3
SCHEMBL9925091 0.89 CYP2C9 (0.36) KDM1ASCN9AFFAR4SPHK1CYP2C9
SCHEMBL9924896 0.89 SCN9A (0.37) KDM1ASCN9ASPHK1SLC6A3

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 KDM1A 1725/4885SCN9A 3847/4885FFAR4 2378/4885

“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.