SCHEMBL9925038

SCHEMBL9925038

CCCC1CCC(C2CCC3CC(OC(=O)c4ccc(COc5ccc(OCC)c(F)c5F)cc4)CCC3C2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.34
CYP2C9 P11712 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
POLB P06746 1/20 0.33
THRB P10828 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
TLR4 O00206 1/20 0.32
ALDH1A1 P00352 4/20 0.32
LMNA P02545 2/20 0.32
MAOB P27338 1/20 0.32
RAB9A P51151 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
F11 P03951 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
SCHEMBL9924861 0.95 MAPT (0.35) MAPTCYP2C9SMN1; SMN2CYP1A2CYP3A4
SCHEMBL9925102 0.94 FFAR4 (0.36) MAPTCYP2C9SMN1; SMN2CYP1A2CYP3A4
SCHEMBL9925027 0.85 USP2 (0.36) MAPTSMN1; SMN2FFAR4THRBHSD17B10
SCHEMBL9924958 0.82 CYP2C9 (0.45) MAPTCYP2C9ALDH1A1LMNAHTT
SCHEMBL9924808 0.82 USP2 (0.36) MAPTFFAR4THRBHSD17B10
SCHEMBL9924941 0.81 USP2 (0.38) MAPTSMN1; SMN2FFAR4THRBHSD17B10
SCHEMBL9925037 0.81 FFAR4 (0.35) MAPTFFAR4TLR4MAOBKMT2A
SCHEMBL9925101 0.81 FFAR4 (0.35) MAPTFFAR4TLR4MAOBKMT2A
SCHEMBL9924994 0.80 CYP2C9 (0.37) MAPTCYP2C9SMN1; SMN2TLR4ALDH1A1
SCHEMBL9924864 0.79 KDM1A (0.34) MAPTKMT2A

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 3409/4885CYP2C9 1129/4885SMN1; SMN2 4294/4885

“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.