SCHEMBL9925039

SCHEMBL9925039

CCCC1CCC(C2CCC3CC(COc4ccc(COc5ccc(OCC)c(F)c5F)cc4)CCC3C2)CC1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.36
ALOX5 P09917 2/20 0.36
PTGES O14684 1/20 0.36
PSEN1 P49768 1/20 0.36
PPARD Q03181 4/20 0.34
PPARA Q07869 2/20 0.34
SSTR5 P35346 2/20 0.33
KCNH2 Q12809 1/20 0.33
FFAR1 O14842 2/20 0.32
KDM1A O60341 2/20 0.32
HCRTR1 O43613 4/20 0.32
HCRTR2 O43614 4/20 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
SCHEMBL9925103 0.96 PPARG (0.36) PPARGALOX5PTGESPSEN1PPARD
SCHEMBL9924863 0.96 PPARG (0.35) PPARGALOX5PTGESPSEN1PPARD
SCHEMBL9925106 0.93 PPARD (0.38) PPARGALOX5PTGESPSEN1PPARD
SCHEMBL9925181 0.92 PPARG (0.33) PPARGALOX5PTGESPSEN1PPARD
SCHEMBL9924766 0.88 SCN9A (0.37) KDM1A
SCHEMBL9924884 0.88 SCN9A (0.37) KDM1A
SCHEMBL9925037 0.87 FFAR4 (0.35) KDM1A
SCHEMBL9925101 0.87 FFAR4 (0.35) KDM1A
SCHEMBL9924928 0.86 SCN9A (0.36) KDM1A
SCHEMBL9925028 0.85 SSTR5 (0.35) PPARGPPARDPPARASSTR5KCNH2

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 PPARG 3884/4885ALOX5 2177/4885PTGES 4797/4885

“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.