SCHEMBL5114822

SCHEMBL5114822

CCOC(=O)c1ccc(OCCCc2ccc(OCc3ccc(OC(C)C)cc3)cc2)c(CC(=O)NCCC(=O)OC)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.39
MTNR1A P48039 3/20 0.38
MAPT P10636 5/20 0.37
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 2/20 0.37
TP53 P04637 1/20 0.37
MTNR1B P49286 2/20 0.36
MAPK1 P28482 1/20 0.36
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL5125048 0.97 MAPT (0.42) KMT2AMTNR1AMAPTALDH1A1SMN1; SMN2
SCHEMBL5126747 0.93 MAPT (0.39) KMT2AMTNR1AMAPTALDH1A1SMN1; SMN2
SCHEMBL5126470 0.86 KMT2A (0.48) KMT2AMAPTALDH1A1LMNAMTNR1B
SCHEMBL5118320 0.86 LMNA (0.43) MAPTALDH1A1LMNATP53PPARG
SCHEMBL5111176 0.84 KDM4E (0.45) MTNR1AMTNR1BKDM4E
SCHEMBL5117838 0.83 L3MBTL1 (0.37) KMT2AMAPTALDH1A1LMNATP53
SCHEMBL5118044 0.82 KDM4E (0.44) MTNR1AMTNR1BPPARGKDM4E
SCHEMBL5125966 0.82 CYSLTR2 (0.38) KMT2AMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL5126556 0.81 KMT2A (0.39) KMT2AMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL5111705 0.81 CYSLTR2 (0.43) KMT2AMAPTALDH1A1SMN1; SMN2TP53

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 973/4885MTNR1A 301/4885MAPT 4633/4885

“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.