SCHEMBL9924890

SCHEMBL9924890

CCCCOc1ccc(OCC2CCC3CC(C4CCC(C5CCC(CCC)CC5)CC4)CCC3C2)c(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 5/20 0.35
TLR4 O00206 2/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
PTGES O14684 2/20 0.32
ALOX5 P09917 2/20 0.32
HTR2C P28335 5/20 0.32
HTR2A P28223 3/20 0.32
HTR2B P41595 2/20 0.32
RIPK1 Q13546 1/20 0.32
PPARG P37231 2/20 0.31
PSEN1 P49768 1/20 0.30
SCN5A Q14524 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 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
SCHEMBL9924773 1.00 SCN9A (0.35) SCN9ATLR4NPC1RAB9APTGES
SCHEMBL9924980 0.96 HTR2C (0.35) SCN9ATLR4NPC1RAB9APTGES
SCHEMBL9925119 0.95 SCN9A (0.33) SCN9ATLR4NPC1RAB9APTGES
SCHEMBL9925049 0.95 HTR2A (0.34) SCN9ATLR4NPC1RAB9APTGES
SCHEMBL9924822 0.95 HTR2A (0.34) SCN9ATLR4NPC1RAB9APTGES
SCHEMBL9924754 0.95 SCN9A (0.34) SCN9ATLR4NPC1RAB9APTGES
SCHEMBL9562596 0.92 RIPK1 (0.37) TLR4PTGESALOX5HTR2CHTR2A
SCHEMBL9562600 0.92 RIPK1 (0.37) TLR4PTGESALOX5HTR2CHTR2A
SCHEMBL15445816 0.92 RIPK1 (0.37) TLR4PTGESALOX5HTR2CHTR2A
SCHEMBL9562592 0.92 RIPK1 (0.37) TLR4PTGESALOX5HTR2CHTR2A

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 3847/4885TLR4 4459/4885NPC1 845/4885

“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.