SCHEMBL9925129

SCHEMBL9925129

CCCCc1ccc(C2CCC3CC(COc4ccc(-c5ccc(OCC)c(F)c5F)c(F)c4F)CCC3C2)cc1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.37
SPHK2 Q9NRA0 7/20 0.33
SLC6A3 Q01959 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
SCN9A Q15858 1/20 0.33
KDM1A O60341 2/20 0.32

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
SCHEMBL10066578 0.97 SPHK1 (0.41) SPHK1SPHK2FFAR4SCN9AKDM1A
SCHEMBL9925128 0.94 SCN9A (0.33) SPHK1SLC6A3FFAR4SCN9AKDM1A
SCHEMBL9924785 0.93 SPHK1 (0.44) SPHK1SPHK2FFAR4SCN9AKDM1A
SCHEMBL9924919 0.90 SPHK1 (0.41) SPHK1SPHK2FFAR4SCN9A
SCHEMBL9924782 0.90 SCN9A (0.35) SPHK1SPHK2SLC6A3FFAR4SCN9A
SCHEMBL9924962 0.89 SCN9A (0.35) SPHK1SLC6A3FFAR4SCN9AKDM1A
SCHEMBL9924897 0.88 SPHK1 (0.46) SPHK1SPHK2FFAR4SCN9AKDM1A
SCHEMBL9924985 0.88 SPHK1 (0.43) SPHK1SPHK2SLC6A3FFAR4KDM1A
SCHEMBL9925130 0.88 SCN9A (0.31) SCN9AKDM1A
SCHEMBL9925135 0.87 CTSL (0.36) FFAR4SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 SPHK1 2935/4885SPHK2 2218/4885SLC6A3 3122/4885

“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.