SCHEMBL5111825

SCHEMBL5111825

CCOC(=O)c1ccc(OCCCc2ccc(OCCCCOC3CCCCC3)cc2)c(CC(=O)NCCC(=O)OC)c1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 2/20 0.48
KMT2A Q03164 5/20 0.38
MAPT P10636 4/20 0.38
MEN1 O00255 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
NR1H4 Q96RI1 1/20 0.35
ABL1 P00519 1/20 0.35
POLB P06746 1/20 0.35
RIN1 Q13671 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
SCHEMBL5119161 0.97 CYSLTR2 (0.47) CYSLTR2KMT2AMAPTMEN1SMN1; SMN2
SCHEMBL5119581 0.96 CYSLTR2 (0.49) CYSLTR2KMT2AMAPTMEN1SMN1; SMN2
SCHEMBL5126529 0.93 CYSLTR2 (0.47) CYSLTR2KMT2AMEN1ALDH1A1LMNA
SCHEMBL5126556 0.90 KMT2A (0.39) CYSLTR2KMT2AMAPTMEN1SMN1; SMN2
SCHEMBL5126470 0.88 KMT2A (0.48) CYSLTR2KMT2AMAPTMEN1ALDH1A1
SCHEMBL5118033 0.87 MAPT (0.42) CYSLTR2KMT2AMAPTMEN1SMN1; SMN2
SCHEMBL5125642 0.87 CYSLTR2 (0.52) CYSLTR2
SCHEMBL5125519 0.85 CYSLTR2 (0.54) CYSLTR2KMT2AMEN1ABL1POLB
SCHEMBL5124904 0.84 CYSLTR2 (0.59) CYSLTR2KMT2AMEN1
SCHEMBL5119101 0.84 CYSLTR2 (0.58) CYSLTR2KMT2AMAPTMEN1ABL1

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 CYSLTR2 4/4885KMT2A 973/4885MAPT 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.