SCHEMBL4250166

SCHEMBL4250166

Cc1ccc([C@@](C)(C(=O)O)C2CCCC2)s1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
DAO P14920 1/20 0.37
CHRM3 P20309 11/20 0.36
POLB P06746 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
CHRM2 P08172 5/20 0.34
CHRM4 P08173 5/20 0.34
CHRM1 P11229 5/20 0.34
LMNA P02545 1/20 0.34
RECQL P46063 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL28781533 1.00 KEAP1 (0.38) KEAP1NFE2L2DAOCHRM3POLB
SCHEMBL4240216 1.00 KEAP1 (0.38) KEAP1NFE2L2DAOCHRM3POLB
SCHEMBL4244166 0.81 CHRM3 (0.44) CHRM3POLBALDH1A1CHRM2CHRM4
SCHEMBL27749355 0.80 PPARA (0.42) KEAP1NFE2L2DAOCHRM3ALDH1A1
SCHEMBL11731847 0.80 KEAP1 (0.51) KEAP1NFE2L2DAOCHRM3POLB
SCHEMBL4426957 0.77 DAO (0.39) KEAP1NFE2L2DAOCHRM3ALDH1A1
SCHEMBL4241444 0.76 CHRM3 (0.46) CHRM3ALDH1A1CHRM2CHRM4CHRM1
SCHEMBL4290654 0.76 CHRM3 (0.64) CHRM3CHRM2CHRM4CHRM1LMNA
SCHEMBL4246657 0.75 CHRM3 (0.44) KEAP1NFE2L2CHRM3ALDH1A1HPGD
SCHEMBL4243224 0.75 CHRM3 (0.44) KEAP1NFE2L2CHRM3ALDH1A1HPGD

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-20090233965-A1 Alkyl Esters Of Cyclic Amino Alcohols With Muscarinic M3 Receptor Antagonist Activity, Useful For Treating E.G. Chronic Bronchial Obstruction, Asthma And Overactive Bladder ASTRAZENECA AB (SE) 2009-09-17 US disclosed
CN-101490003-A New alkyl esters of cyclic amino alcohols with muscarinic m3 receptor antagonist activity, useful for treating e.g. chronic bronchial obstruction, asthma and overactive bladder ASTRAZENECA AB (SE) 2009-07-22 CN 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-20090233965-A1 Alkyl Esters Of Cyclic Amino Alcohols With Muscarinic M3 Receptor Antagonist Activity, Useful For Treating E.G. Chronic Bronchial Obstruction, Asthma And Overactive Bladder CHRM3, CHRM2, CHRM1 KEAP1 3069/4885NFE2L2 3953/4885DAO 449/4885

“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.