SCHEMBL9925084

SCHEMBL9925084

CCCC1CCC2CC(OC(=O)C3CCC(C4CCC(COc5ccc(OCC)c(F)c5F)CC4)CC3)CCC2C1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACACB O00763 5/20 0.33
SCN9A Q15858 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PDE4B Q07343 4/20 0.33
PDE4A P27815 3/20 0.32
PDE4C Q08493 3/20 0.32
PDE4D Q08499 3/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
TLR4 O00206 1/20 0.31
HPGD P15428 1/20 0.31
SLC6A9 P48067 1/20 0.31
LMNA P02545 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
SCHEMBL9924852 0.99 ACACB (0.33) ACACBSCN9ASMN1; SMN2PDE4BPDE4A
SCHEMBL9925018 0.96 TLR4 (0.33) ACACBSCN9ASMN1; SMN2PDE4BPDE4A
SCHEMBL9924935 0.96 SCN9A (0.35) ACACBSCN9ASMN1; SMN2PDE4BPDE4A
SCHEMBL9925088 0.96 SMN1; SMN2 (0.35) ACACBSCN9ASMN1; SMN2PDE4BPDE4A
SCHEMBL9925175 0.95 ACACB (0.33) ACACBSCN9ASMN1; SMN2PDE4BPDE4A
SCHEMBL9924799 0.95 SCN9A (0.35) ACACBSCN9ASMN1; SMN2PDE4BPDE4A
SCHEMBL9924851 0.93 SMN1; SMN2 (0.35) ACACBSCN9ASMN1; SMN2PDE4BPDE4A
SCHEMBL9924929 0.92 SCN9A (0.36) ACACBSCN9ASMN1; SMN2GLAGAA
SCHEMBL9924930 0.92 SCN9A (0.36) ACACBSCN9ASMN1; SMN2GLAGAA
SCHEMBL9925139 0.91 ACACB (0.33) ACACBSCN9ASMN1; SMN2GLAGAA

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 ACACB 2918/4885SCN9A 3847/4885SMN1; SMN2 4294/4885

“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.