SCHEMBL5125533

SCHEMBL5125533

CCOC(=O)c1ccc(OCCCc2ccc(OCCCC3CCCCC3)cc2)c(CC(=O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.41
ALOX5 P09917 1/20 0.41
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
PPARG P37231 5/20 0.41
PPARA Q07869 2/20 0.41
ESR1 P03372 1/20 0.41
HRH3 Q9Y5N1 2/20 0.40
CYSLTR2 Q9NS75 2/20 0.40
KCNH2 Q12809 1/20 0.40
PPARD Q03181 1/20 0.39

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
SCHEMBL5125642 0.89 CYSLTR2 (0.52) PPARGPPARAHRH3CYSLTR2KCNH2
SCHEMBL14131831 0.88 ESR1 (0.41) PPARGPPARAESR1CYSLTR2PPARD
SCHEMBL5118032 0.88 ESR1 (0.39) PTGESALOX5PPARGPPARAESR1
SCHEMBL5126556 0.86 KMT2A (0.39) PTGESALOX5PPARGPPARAESR1
SCHEMBL14131791 0.85 POLB (0.47) PPARG
SCHEMBL5118033 0.85 MAPT (0.42) PTGESALOX5ESR1CYSLTR2
SCHEMBL5115310 0.84 ALDH1A1 (0.44) HRH3KCNH2
SCHEMBL5125689 0.84 CYSLTR2 (0.42) PPARGESR1CYSLTR2
SCHEMBL5124933 0.84 CYSLTR2 (0.47) CYSLTR2
SCHEMBL5173022 0.83 NMT2 (0.39) ESR1HRH3CYSLTR2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080176898-A1 Leukotriene antagonists; cardiovascular disorders like unstable angina pectoris or myocardial infarction; Methyl 1-{[5-(ethoxycarbonyl)-2-(3-{4-[(4-isopropoxybenzyl)oxy]phenyl}propoxy)phenyl]-acetyl}piperidine-4-carboxylate BAYER HEALTHCARE AG (DE) 2008-07-24 US disclosed
US-20080176898-A1 Leukotriene antagonists; cardiovascular disorders like unstable angina pectoris or myocardial infarction; Methyl 1-{[5-(ethoxycarbonyl)-2-(3-{4-[(4-isopropoxybenzyl)oxy]phenyl}propoxy)phenyl]-acetyl}piperidine-4-carboxylate BAYER HEALTHCARE AG (DE) 2008-07-24 US disclosed
US-20080176898-A1 Leukotriene antagonists; cardiovascular disorders like unstable angina pectoris or myocardial infarction; Methyl 1-{[5-(ethoxycarbonyl)-2-(3-{4-[(4-isopropoxybenzyl)oxy]phenyl}propoxy)phenyl]-acetyl}piperidine-4-carboxylate BAYER HEALTHCARE AG (DE) 2008-07-24 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-20080176898-A1 Leukotriene antagonists; cardiovascular disorders like unstable angina pectoris or myocardial infarction; Methyl 1-{[5-(ethoxycarbonyl)-2-(3-{4-[(4-isopropoxybenzyl)oxy]phenyl}propoxy)phenyl]-acetyl}piperidine-4-carboxylate LTC4S, LTB4R2, LTB4R PTGES 16/4885ALOX5 12/4885ITGB3 1597/4885

“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.