SCHEMBL9924941

SCHEMBL9924941

CCCc1ccc(C(=O)OC2CCC(C3CCC4CC(COc5ccc(OCC)c(F)c5F)CCC4C3)CC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
SCN9A Q15858 2/20 0.35
TAAR1 Q96RJ0 1/20 0.34
SSTR5 P35346 2/20 0.34
KCNH2 Q12809 1/20 0.34
ALDH1A1 P00352 3/20 0.33
CHRNA7 P36544 2/20 0.33
HTT P42858 1/20 0.33
PDE4A P27815 2/20 0.33
PDE4B Q07343 2/20 0.33
PDE4C Q08493 2/20 0.33
PDE4D Q08499 2/20 0.33
LPAR1 Q92633 1/20 0.33
LPAR5 Q9H1C0 1/20 0.33
NR2F2 P24468 1/20 0.33
PAX8 Q06710 1/20 0.33
KLF5 Q13887 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
SCHEMBL9924808 0.95 USP2 (0.36) USP2NPSR1HSD17B10FFAR4SCN9A
SCHEMBL9925027 0.94 USP2 (0.36) USP2NPSR1HSD17B10FFAR4SCN9A
SCHEMBL9924969 0.93 FFAR4 (0.38) USP2NPSR1HSD17B10FFAR4SCN9A
SCHEMBL9925102 0.85 FFAR4 (0.36) NPSR1HSD17B10FFAR4SSTR5ALDH1A1
SCHEMBL9924940 0.84 MAOB (0.37) FFAR4SCN9A
SCHEMBL10066566 0.83 USP2 (0.32) USP2NPSR1HSD17B10FFAR4SCN9A
SCHEMBL9924943 0.83 SCN9A (0.34) FFAR4SCN9A
SCHEMBL9925028 0.83 SSTR5 (0.35) SCN9ASSTR5KCNH2
SCHEMBL9924944 0.83 SSTR5 (0.35) SCN9ASSTR5KCNH2
SCHEMBL9924953 0.82 CYP2C9 (0.43) FFAR4SCN9ASSTR5KCNH2ALDH1A1

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 USP2 1127/4885NPSR1 2426/4885HSD17B10 301/4885

“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.