SCHEMBL9925076

SCHEMBL9925076

C=CC1CCC2CC(c3ccc(-c4ccc(COc5ccc(OCC)c(F)c5F)cc4)cc3)CCC2C1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM1A O60341 4/20 0.33
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
GABRA1 P14867 3/20 0.31
GABRB2 P47870 3/20 0.31
HTR1A P08908 2/20 0.31
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31
SLC6A3 Q01959 2/20 0.31
TACR2 P21452 1/20 0.31
PKM P14618 1/20 0.31
NTSR1 P30989 1/20 0.31
NAAA Q02083 1/20 0.30

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
SCHEMBL9924836 0.97 KDM1A (0.34) MAPTKDM4EALDH1A1NPC1HPGD
SCHEMBL9925162 0.93 KDM1A (0.32) MAPTKDM4EALDH1A1NPC1HPGD
SCHEMBL9925067 0.92 KDM1A (0.34) MAPTKDM4EALDH1A1NPC1HPGD
SCHEMBL9924995 0.92 KDM1A (0.34) MAPTKDM4EALDH1A1NPC1HPGD
SCHEMBL22277640 0.89 MAPT (0.36) MAPTKDM4EALDH1A1NPC1HPGD
SCHEMBL9925077 0.89 MAPT (0.33) MAPTKDM4EALDH1A1NPC1HPGD
SCHEMBL22277651 0.87 MAPT (0.34) MAPTKDM4EALDH1A1NPC1HPGD
SCHEMBL9924837 0.85 KDM1A (0.34) MAPTKDM4EALDH1A1NPC1HPGD
SCHEMBL9925009 0.85 MAPT (0.34) MAPTKDM4EALDH1A1NPC1HPGD
SCHEMBL9925080 0.84 NAAA (0.35) MAPTKDM4EALDH1A1NPC1HPGD

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 MAPT 3409/4885KDM4E 3188/4885ALDH1A1 743/4885

“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.