SCHEMBL9924737

SCHEMBL9924737

CC(=O)CCC1CC(C)CCC1=O

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 7/20 0.53
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.36
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ATM Q13315 1/20 0.32
PTPN1 P18031 1/20 0.31
MT-CO2 P00403 1/20 0.30
ALOX5 P09917 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
SCHEMBL3320253 0.82 TLR4 (0.56) TLR4MT-CO2ALOX5
SCHEMBL9014001 0.82 TLR4 (0.45) TLR4NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL5684616 0.79 TLR4 (0.49) TLR4NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL2431325 0.77 NPC1 (0.58) NPC1RAB9ASMN1; SMN2LMNAGAA
SCHEMBL6907551 0.76 TLR4 (0.47) TLR4MT-CO2ALOX5
SCHEMBL7910636 0.75 NPC1 (0.59) NPC1RAB9ASMN1; SMN2LMNAGAA
SCHEMBL28299070 0.75 TLR4 (0.41) TLR4
SCHEMBL11065128 0.74 TLR4 (0.54) TLR4ALOX5
SCHEMBL9190051 0.74 TLR4 (0.44) TLR4LMNAMT-CO2ALOX5
SCHEMBL10810560 0.73 TLR4 (0.63) TLR4NPC1RAB9ASMN1; SMN2LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 TLR4 4459/4885NPC1 845/4885RAB9A 4571/4885

“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.