SCHEMBL5118515

SCHEMBL5118515

CCOC(=O)CCCNC(=O)Cc1cc(C(=O)OCC)ccc1OCCCc1ccc(OCCCCOc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
KMT2A Q03164 3/20 0.49
LTA4H P09960 5/20 0.48
NPC1 O15118 1/20 0.44
MTNR1B P49286 1/20 0.44
MEN1 O00255 2/20 0.44
POLB P06746 1/20 0.44
KDM4E B2RXH2 2/20 0.43
RAB9A P51151 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.42

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
SCHEMBL5126470 0.92 KMT2A (0.48) MAPTKMT2ALTA4HMTNR1BMEN1
SCHEMBL14131791 0.85 POLB (0.47) MAPTKMT2AMEN1POLB
SCHEMBL5119581 0.84 CYSLTR2 (0.49) MAPTSMN1; SMN2KMT2ALTA4HMEN1
SCHEMBL5126642 0.84 CYSLTR2 (0.49) KMT2AMTNR1BMEN1
SCHEMBL5119161 0.84 CYSLTR2 (0.47) MAPTSMN1; SMN2KMT2AMTNR1BMEN1
SCHEMBL5118136 0.83 POLB (0.46) MAPTKMT2AMEN1POLB
SCHEMBL5118033 0.83 MAPT (0.42) MAPTSMN1; SMN2KMT2AMTNR1BMEN1
SCHEMBL5125048 0.83 MAPT (0.42) MAPTSMN1; SMN2KMT2ANPC1MTNR1B
SCHEMBL5119629 0.82 S1PR1 (0.54) KMT2ALTA4HMTNR1BMEN1
SCHEMBL5119091 0.80 MAPT (0.43) MAPTKMT2AMEN1POLB

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.