SCHEMBL9925053

SCHEMBL9925053

CCOc1ccc(OCC2CCC(C3CCC(C4CCC5CC(OCC)CCC5C4)CC3)CC2)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.36
HTR2A P28223 4/20 0.36
HTR2B P41595 3/20 0.36
ACACB O00763 5/20 0.35
KDM1A O60341 2/20 0.35
RIPK1 Q13546 1/20 0.33
LRRK2 Q5S007 2/20 0.33
SCN9A Q15858 1/20 0.33
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 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
SCHEMBL9924823 1.00 HTR2C (0.36) HTR2CHTR2AHTR2BACACBKDM1A
SCHEMBL9924981 0.96 HTR2C (0.37) HTR2CHTR2AHTR2BACACBKDM1A
SCHEMBL9925152 0.95 ACACB (0.35) HTR2CHTR2AHTR2BACACBKDM1A
SCHEMBL9924758 0.93 SCN9A (0.35) HTR2CHTR2AHTR2BACACBKDM1A
SCHEMBL9924774 0.92 SCN9A (0.37) HTR2CHTR2AHTR2BACACBKDM1A
SCHEMBL9924891 0.92 SCN9A (0.37) HTR2CHTR2AHTR2BACACBKDM1A
SCHEMBL19188348 0.90 HTR2C (0.36) HTR2CHTR2AHTR2BACACBKDM1A
SCHEMBL9924824 0.89 HTR2A (0.33) HTR2CHTR2AHTR2BACACBKDM1A
SCHEMBL9925021 0.89 HTR2A (0.33) HTR2CHTR2AHTR2BACACBKDM1A
SCHEMBL9924875 0.89 ACACB (0.35) HTR2CHTR2AHTR2BACACBKDM1A

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 HTR2C 836/4885HTR2A 2992/4885HTR2B 2676/4885

“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.