SCHEMBL5118032

SCHEMBL5118032

C=CCOC(=O)Cc1cc(C(=O)OCC)ccc1OCCCc1ccc(OCCCC2CCCCC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.39
ALOX5 P09917 2/20 0.38
PTGES O14684 1/20 0.38
HRH3 Q9Y5N1 2/20 0.36
KCNH2 Q12809 1/20 0.36
PPARG P37231 4/20 0.36
PPARA Q07869 1/20 0.36
CYSLTR2 Q9NS75 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
PTGS2 P35354 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
SCHEMBL5118301 0.90 CYSLTR2 (0.46) ESR1HRH3KCNH2PPARGPPARA
SCHEMBL5125533 0.88 PTGES (0.41) ESR1ALOX5PTGESHRH3KCNH2
SCHEMBL5119091 0.86 MAPT (0.43) PPARGCYSLTR2MAPT
SCHEMBL14131831 0.84 ESR1 (0.41) ESR1PPARGPPARACYSLTR2
SCHEMBL5126556 0.83 KMT2A (0.39) ESR1ALOX5PTGESPPARGPPARA
SCHEMBL5118033 0.82 MAPT (0.42) ESR1ALOX5PTGESCYSLTR2MAPT
SCHEMBL5117838 0.82 L3MBTL1 (0.37) MAPT
SCHEMBL14144998 0.81 CYSLTR2 (0.54) PPARGPPARACYSLTR2MAPT
SCHEMBL5115310 0.80 ALDH1A1 (0.44) HRH3KCNH2MAPT
SCHEMBL5125689 0.80 CYSLTR2 (0.42) ESR1PPARGCYSLTR2HPGD

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 ESR1 3009/4885ALOX5 12/4885PTGES 16/4885

“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.