SCHEMBL4889331

SCHEMBL4889331

C=CC(O)(c1ccccc1)C1CCCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.51
NFE2L2 Q16236 1/20 0.51
CHRM2 P08172 7/20 0.42
CHRM1 P11229 7/20 0.42
CHRM3 P20309 6/20 0.42
CYP2D6 P10635 5/20 0.42
KCNH2 Q12809 4/20 0.42
CHRM4 P08173 2/20 0.42
CHRM5 P08912 2/20 0.42
HRH1 P35367 2/20 0.42
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
GRIN3A Q8TCU5 1/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42

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
SCHEMBL22257216 0.81 KEAP1 (0.56) KEAP1NFE2L2CHRM2CHRM1CHRM3
SCHEMBL17443217 0.81 KEAP1 (0.47) KEAP1NFE2L2CHRM2CHRM1CHRM3
SCHEMBL17443216 0.81 KEAP1 (0.47) KEAP1NFE2L2CHRM2CHRM1CHRM3
SCHEMBL1848708 0.77 KEAP1 (0.47) KEAP1NFE2L2CHRM2CHRM1CHRM3
SCHEMBL1848705 0.77 KEAP1 (0.47) KEAP1NFE2L2CHRM2CHRM1CHRM3
SCHEMBL1848704 0.77 KEAP1 (0.47) KEAP1NFE2L2CHRM2CHRM1CHRM3
SCHEMBL9784201 0.77 KEAP1 (0.46) KEAP1NFE2L2CHRM2CHRM1CHRM3
SCHEMBL9643735 0.74 TGM2 (0.39)
SCHEMBL28969937 0.74 KEAP1 (0.56) KEAP1NFE2L2CHRM2CHRM1CHRM3
SCHEMBL1385530 0.73 KEAP1 (0.55) KEAP1NFE2L2CHRM2CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109293541-B Method for preparing alpha-aryl-gamma-methylsulfinylketone compound by visible light catalysis 闽南师范大学 2020-10-27 CN disclosed
US-20080280883-A1 Muscarinic Receptor Antagonists RANBAXY LABORATORIES LIMITED (IN) 2008-11-13 US disclosed
EP-1794161-A2 MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2007-06-13 EP disclosed
WO-2006032994-A2 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2006-03-30 WO 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-20080280883-A1 Muscarinic Receptor Antagonists CHRM3, CHRM5, CHRM2 KEAP1 1713/4885NFE2L2 4205/4885CHRM2 3/4885

“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.