SCHEMBL9925023

SCHEMBL9925023

CCCC1CCC(C2CCC3CC(C(=O)OC4CCC(COc5ccc(OCC)c(F)c5F)CC4)CCC3C2)CC1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.35
PDE4A P27815 3/20 0.34
PDE4B Q07343 3/20 0.34
PDE4C Q08493 3/20 0.34
PDE4D Q08499 3/20 0.34
TLR4 O00206 2/20 0.33
RIPK1 Q13546 1/20 0.33
ACACB O00763 5/20 0.33
SCN9A Q15858 1/20 0.33
HTR2A P28223 2/20 0.32
HTR2C P28335 2/20 0.32
HTR2B P41595 2/20 0.32
SSTR5 P35346 1/20 0.31
KCNH2 Q12809 1/20 0.31
FFAR4 Q5NUL3 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
SCHEMBL9924936 0.96 SMN1; SMN2 (0.35) SMN1; SMN2PDE4APDE4BPDE4CPDE4D
SCHEMBL9924800 0.95 SMN1; SMN2 (0.35) SMN1; SMN2PDE4APDE4BPDE4CPDE4D
SCHEMBL19188385 0.95 SMN1; SMN2 (0.35) SMN1; SMN2PDE4APDE4BPDE4CPDE4D
SCHEMBL9924851 0.95 SMN1; SMN2 (0.35) SMN1; SMN2PDE4APDE4BPDE4CPDE4D
SCHEMBL9924930 0.94 SCN9A (0.36) SMN1; SMN2TLR4RIPK1ACACBSCN9A
SCHEMBL9924929 0.94 SCN9A (0.36) SMN1; SMN2TLR4RIPK1ACACBSCN9A
SCHEMBL9925018 0.94 TLR4 (0.33) SMN1; SMN2PDE4APDE4BPDE4CPDE4D
SCHEMBL9925088 0.94 SMN1; SMN2 (0.35) SMN1; SMN2PDE4APDE4BPDE4CPDE4D
SCHEMBL9925084 0.90 ACACB (0.33) SMN1; SMN2PDE4APDE4BPDE4CPDE4D
SCHEMBL9924935 0.90 SCN9A (0.35) SMN1; SMN2PDE4APDE4BPDE4CPDE4D

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 SMN1; SMN2 4294/4885PDE4A 3218/4885PDE4B 3193/4885

“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.