SCHEMBL5125048

SCHEMBL5125048

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

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
KMT2A Q03164 1/20 0.40
MTNR1A P48039 5/20 0.39
MTNR1B P49286 4/20 0.37
EPHX2 P34913 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
HDAC8 Q9BY41 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
SCHEMBL5114822 0.97 KMT2A (0.39) MAPTSMN1; SMN2KMT2AMTNR1AMTNR1B
SCHEMBL5126747 0.92 MAPT (0.39) MAPTSMN1; SMN2KMT2AMTNR1AMTNR1B
SCHEMBL5118320 0.85 LMNA (0.43) MAPTALDH1A1LMNANPC1TP53
SCHEMBL5118044 0.84 KDM4E (0.44) MTNR1AMTNR1B
SCHEMBL5126470 0.83 KMT2A (0.48) MAPTKMT2AMTNR1BALDH1A1LMNA
SCHEMBL5118515 0.83 MAPT (0.52) MAPTSMN1; SMN2KMT2AMTNR1BNPC1
SCHEMBL5111176 0.82 KDM4E (0.45) MTNR1AMTNR1B
SCHEMBL5118033 0.82 MAPT (0.42) MAPTSMN1; SMN2KMT2AMTNR1BALDH1A1
SCHEMBL5117838 0.82 L3MBTL1 (0.37) MAPTKMT2AALDH1A1LMNANPC1
SCHEMBL5119161 0.81 CYSLTR2 (0.47) MAPTSMN1; SMN2KMT2AMTNR1BEPHX2

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 MAPT 4633/4885SMN1; SMN2 3918/4885KMT2A 973/4885

“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.