SCHEMBL5118033

SCHEMBL5118033

CCOC(=O)c1ccc(OCCCc2ccc(OCCCC3CCCCC3)cc2)c(CC(=O)NCCCC(=O)OC)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 2/20 0.38
ESR1 P03372 1/20 0.37
CYSLTR2 Q9NS75 2/20 0.37
LMNA P02545 1/20 0.37
MTNR1B P49286 1/20 0.36
PTGES O14684 1/20 0.36
ALOX5 P09917 1/20 0.36
NMT2 O60551 1/20 0.36
NMT1 P30419 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
SCHEMBL5126556 0.97 KMT2A (0.39) MAPTSMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL14131831 0.93 ESR1 (0.41) KMT2AMEN1ALDH1A1ESR1CYSLTR2
SCHEMBL5119161 0.91 CYSLTR2 (0.47) MAPTSMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL5111825 0.87 CYSLTR2 (0.48) MAPTSMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL5125533 0.85 PTGES (0.41) ESR1CYSLTR2PTGESALOX5
SCHEMBL5125507 0.84 CYSLTR2 (0.46) KMT2AMEN1CYSLTR2MTNR1B
SCHEMBL5126470 0.84 KMT2A (0.48) MAPTKMT2AMEN1ALDH1A1CYSLTR2
SCHEMBL5119581 0.84 CYSLTR2 (0.49) MAPTSMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL5126529 0.84 CYSLTR2 (0.47) KMT2AMEN1ALDH1A1ESR1CYSLTR2
SCHEMBL5125689 0.83 CYSLTR2 (0.42) KMT2AMEN1ESR1CYSLTR2NMT2

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.