SCHEMBL5126470

SCHEMBL5126470

CCOC(=O)c1ccc(OCCCc2ccc(OCCCCOc3ccccc3)cc2)c(CC(=O)NCCC(=O)OC)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
MTNR1B P49286 1/20 0.44
LTA4H P09960 3/20 0.44
MEN1 O00255 2/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
RAB9A P51151 1/20 0.42
TAAR1 Q96RJ0 1/20 0.41
CYSLTR2 Q9NS75 1/20 0.41
LMNA P02545 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
SCHEMBL5118515 0.92 MAPT (0.52) KMT2AMTNR1BLTA4HMEN1POLB
SCHEMBL5111825 0.88 CYSLTR2 (0.48) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL5126556 0.86 KMT2A (0.39) KMT2AMEN1MAPTALDH1A1RAB9A
SCHEMBL5114822 0.86 KMT2A (0.39) KMT2AMTNR1BMAPTKDM4EALDH1A1
SCHEMBL14131791 0.86 POLB (0.47) KMT2AMEN1POLBMAPT
SCHEMBL5119161 0.85 CYSLTR2 (0.47) KMT2AMTNR1BMEN1MAPTALDH1A1
SCHEMBL5118136 0.84 POLB (0.46) KMT2AMEN1POLBMAPTCYSLTR2
SCHEMBL5118033 0.84 MAPT (0.42) KMT2AMTNR1BMEN1MAPTALDH1A1
SCHEMBL5119581 0.83 CYSLTR2 (0.49) KMT2ALTA4HMEN1POLBMAPT
SCHEMBL5125048 0.83 MAPT (0.42) KMT2AMTNR1BMAPTALDH1A1LMNA

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 KMT2A 973/4885MTNR1B 197/4885LTA4H 6/4885

“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.