SCHEMBL9925096

SCHEMBL9925096

CCCC1CCC2CC(c3ccc(OCC4CCC(COc5ccc(OCC)c(F)c5F)CC4)cc3)CCC2C1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.35
KDM1A O60341 2/20 0.34
CYP2C9 P11712 1/20 0.34
ACACB O00763 9/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
SSTR5 P35346 1/20 0.33
KCNH2 Q12809 1/20 0.33
SCN9A Q15858 1/20 0.32
AOC3 Q16853 1/20 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
SCHEMBL9924954 0.97 CYP2C9 (0.36) RAB9AKDM1ACYP2C9ACACBALDH1A1
SCHEMBL9925093 0.96 CYP2C9 (0.36) RAB9AKDM1ACYP2C9ACACBALDH1A1
SCHEMBL9925057 0.95 CYP2C9 (0.38) RAB9AKDM1ACYP2C9ACACBALDH1A1
SCHEMBL9924961 0.93 CYP2C9 (0.39) RAB9AKDM1ACYP2C9ACACBALDH1A1
SCHEMBL10065874 0.91 CYP2C9 (0.32) RAB9AKDM1ACYP2C9ACACBALDH1A1
SCHEMBL9924906 0.90 CYP2C9 (0.41) RAB9AKDM1ACYP2C9ACACBALDH1A1
SCHEMBL9924789 0.90 KDM1A (0.37) RAB9AKDM1AACACBALDH1A1SCN9A
SCHEMBL9925094 0.89 CYP2C9 (0.34) KDM1ACYP2C9ALDH1A1LMNAMAPT
SCHEMBL9924790 0.88 RAB9A (0.45) RAB9AKDM1ACYP2C9LMNAKCNH2
SCHEMBL9925095 0.88 CYP2C9 (0.35) RAB9ACYP2C9ACACBALDH1A1LMNA

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 4571/4885KDM1A 1725/4885CYP2C9 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.