SCHEMBL9925091

SCHEMBL9925091

CCCC1CCC2CC(CCc3ccc(C4CCC(COc5ccc(OCC)c(F)c5F)CC4)cc3)CCC2C1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.36
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
MEN1 O00255 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
SPHK1 Q9NYA1 10/20 0.34
FFAR4 Q5NUL3 1/20 0.34
KDM1A O60341 2/20 0.33
SCN9A Q15858 1/20 0.32
SPHK2 Q9NRA0 6/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31

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
SCHEMBL9924957 0.97 CYP2C9 (0.37) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL9925094 0.96 CYP2C9 (0.34) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL9924951 0.93 CYP2C9 (0.35) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL9925057 0.91 CYP2C9 (0.38) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL9924945 0.90 SPHK1 (0.34) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL9925029 0.89 KDM1A (0.33) CYP2C9SPHK1FFAR4KDM1ASCN9A
SCHEMBL9925093 0.88 CYP2C9 (0.36) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL9924896 0.87 SCN9A (0.37) SPHK1KDM1ASCN9ASPHK2
SCHEMBL9925025 0.87 FFAR4 (0.36) FFAR4KDM1ASCN9AHTR2AHTR2C
SCHEMBL9924906 0.87 CYP2C9 (0.41) CYP2C9ALDH1A1LMNAMAPTMEN1

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 CYP2C9 1129/4885ALDH1A1 743/4885LMNA 1464/4885

“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.