SCHEMBL9924902

SCHEMBL9924902

CCCCOc1ccc(C2CCC(C3CCC4CC(COc5ccc(OCC)c(F)c5F)CCC4C3)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.42
HRH3 Q9Y5N1 5/20 0.37
CYP2C9 P11712 3/20 0.37
NPC1 O15118 2/20 0.36
SCN9A Q15858 2/20 0.36
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CRBN Q96SW2 1/20 0.34
HTR1A P08908 1/20 0.34
DRD2 P14416 1/20 0.34
DRD1 P21728 1/20 0.34
DRD5 P21918 1/20 0.34
HTR2A P28223 1/20 0.34
DRD3 P35462 1/20 0.34
KDM1A O60341 2/20 0.34
KCNH2 Q12809 3/20 0.34
CYP3A4 P08684 2/20 0.34

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
SCHEMBL9924790 0.95 RAB9A (0.45) RAB9AHRH3CYP2C9NPC1SCN9A
SCHEMBL9924990 0.94 RAB9A (0.44) RAB9AHRH3CYP2C9NPC1SCN9A
SCHEMBL9924901 0.93 SCN9A (0.38) RAB9ASCN9ACYP1A2CYP2D6CYP2C19
SCHEMBL9924924 0.92 RAB9A (0.43) RAB9AHRH3CYP2C9NPC1SCN9A
SCHEMBL9924961 0.88 CYP2C9 (0.39) RAB9ACYP2C9SCN9AKDM1A
SCHEMBL9924789 0.88 KDM1A (0.37) RAB9ASCN9ACYP1A2CYP2D6CYP2C19
SCHEMBL9924900 0.88 SPHK1 (0.38) RAB9ASCN9A
SCHEMBL9924897 0.88 SPHK1 (0.46) SCN9AKDM1A
SCHEMBL9924914 0.88 RAB9A (0.36) RAB9AHRH3CYP2C9SCN9AKDM1A
SCHEMBL9925093 0.87 CYP2C9 (0.36) RAB9ACYP2C9SCN9AKDM1AKCNH2

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 RAB9A 4571/4885HRH3 1179/4885CYP2C9 1129/4885

“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.