SCHEMBL4242909

SCHEMBL4242909

O=C(O)C(c1ccc(O)cc1)C1CCCC1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HTR1E P28566 3/20 0.49
S1PR3 Q99500 3/20 0.49
MEN1 O00255 2/20 0.49
LMNA P02545 2/20 0.49
KMT2A Q03164 2/20 0.49
MAPT P10636 1/20 0.49
CHRM3 P20309 3/20 0.45
SRC P12931 1/20 0.42
HTT P42858 1/20 0.41
SLC6A3 Q01959 1/20 0.41

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
SCHEMBL6253315 0.92 SRC (0.44) ALOX5HDAC6HTR1ES1PR3MEN1
SCHEMBL28622389 0.85 HTR1E (0.65) ALOX5HDAC6HTR1ES1PR3MEN1
SCHEMBL69127 0.85 HTR1E (0.65) ALOX5HDAC6HTR1ES1PR3MEN1
SCHEMBL17846888 0.84 HTR1E (0.47) ALOX5HDAC6HTR1ES1PR3MEN1
SCHEMBL1177709 0.84 HTR1E (0.60) ALOX5HDAC6HTR1ES1PR3MEN1
SCHEMBL1565063 0.84 HTR1E (0.47) ALOX5HDAC6HTR1ES1PR3MEN1
SCHEMBL1565904 0.84 MEN1 (0.47) ALOX5HDAC6HTR1ES1PR3MEN1
SCHEMBL1564941 0.84 HTR1E (0.47) ALOX5HDAC6HTR1ES1PR3MEN1
SCHEMBL1177706 0.84 HTR1E (0.60) ALOX5HDAC6HTR1ES1PR3MEN1
SCHEMBL67219 0.83 HTR1E (0.63) ALOX5HTR1ES1PR3MEN1LMNA

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 8 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
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
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
EP-2013172-A1 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) 2009-01-14 EP disclosed
WO-2007123465-A1 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) 2007-11-01 WO disclosed
WO-2007123465-A1 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) 2007-11-01 WO disclosed
US-5776964-A HYPOTENSIVE AGENTS; ANTICHOLESTEROL AGENTS; CARDIOVASCULAR DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 1998-07-07 US disclosed
US-5521206-A HYPOTENSIVE AGENTS, TREATMENT OF ATHEROSCLEROSIS BAYER AKTIENGESELLSCHAFT (DE) 1996-05-28 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-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 ALOX5 300/4885HDAC6 3833/4885HTR1E 312/4885

“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.