SCHEMBL5126529

SCHEMBL5126529

CCOC(=O)c1ccc(OCCCc2ccc(OCCCCOC3CCCCC3)cc2)c(CC(=O)NCC(=O)OC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 2/20 0.47
PPARG P37231 1/20 0.37
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37
ESR1 P03372 1/20 0.36
ALDH1A1 P00352 4/20 0.36
HTT P42858 2/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
POLB P06746 2/20 0.36
ABL1 P00519 1/20 0.36
RIN1 Q13671 1/20 0.36
KCNH2 Q12809 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL5111825 0.93 CYSLTR2 (0.48) CYSLTR2ALDH1A1MEN1KMT2APOLB
SCHEMBL5119161 0.92 CYSLTR2 (0.47) CYSLTR2ALDH1A1MEN1KMT2ALMNA
SCHEMBL5119581 0.91 CYSLTR2 (0.49) CYSLTR2ESR1ALDH1A1MEN1KMT2A
SCHEMBL14131831 0.91 ESR1 (0.41) CYSLTR2PPARGPPARDPPARAESR1
SCHEMBL5125642 0.87 CYSLTR2 (0.52) CYSLTR2PPARGPPARDPPARAKCNH2
SCHEMBL5125519 0.85 CYSLTR2 (0.54) CYSLTR2MEN1KMT2APOLBABL1
SCHEMBL5126556 0.85 KMT2A (0.39) CYSLTR2PPARGPPARDPPARAESR1
SCHEMBL5119101 0.85 CYSLTR2 (0.58) CYSLTR2MEN1KMT2APOLBABL1
SCHEMBL5118877 0.84 CYSLTR2 (0.58) CYSLTR2ALDH1A1MEN1KMT2APDE4A
SCHEMBL5118301 0.84 CYSLTR2 (0.46) CYSLTR2PPARGPPARAESR1ALDH1A1

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 CYSLTR2 4/4885PPARG 158/4885PPARD 104/4885

“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.