SCHEMBL9925030

SCHEMBL9925030

CCCc1ccc(C2CCC3CC(OC(=O)C4CCC(COc5ccc(OCC)c(F)c5F)CC4)CCC3C2)cc1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 3/20 0.35
FFAR4 Q5NUL3 4/20 0.34
ACACB O00763 8/20 0.32
SCN9A Q15858 1/20 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
SCHEMBL9924946 0.95 SCN9A (0.35) SLC6A3FFAR4ACACBSCN9A
SCHEMBL9924947 0.91 SCN9A (0.35) SLC6A3FFAR4SCN9A
SCHEMBL19189742 0.90 FFAR4 (0.31) FFAR4
SCHEMBL9924782 0.85 SCN9A (0.35) SLC6A3FFAR4SCN9A
SCHEMBL9924962 0.84 SCN9A (0.35) SLC6A3FFAR4SCN9A
SCHEMBL9925032 0.83 SCN9A (0.34) SLC6A3FFAR4ACACBSCN9A
SCHEMBL9925029 0.83 KDM1A (0.33) SLC6A3FFAR4SCN9A
SCHEMBL9924852 0.83 ACACB (0.33) ACACBSCN9A
SCHEMBL9925084 0.82 ACACB (0.33) ACACBSCN9A
SCHEMBL9925018 0.82 TLR4 (0.33) ACACBSCN9A

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 SLC6A3 3122/4885FFAR4 2378/4885ACACB 2918/4885

“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.