SCHEMBL5118730

SCHEMBL5118730

CCOC(=O)c1ccc(OCCCc2ccc(OCCCCOC3CCCCC3)cc2)c(CC(=O)N2CC(C(=O)OC)C2)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 2/20 0.48
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
HRH2 P25021 1/20 0.37
HRH1 P35367 1/20 0.37
HRH3 Q9Y5N1 2/20 0.36
KCNH2 Q12809 1/20 0.36
HPGD P15428 1/20 0.36
ALDH1A1 P00352 2/20 0.35
ATM Q13315 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
FKBP1A P62942 1/20 0.35
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.34

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
SCHEMBL5111128 0.94 CYSLTR2 (0.47) CYSLTR2TDP1MEN1KMT2AHRH2
SCHEMBL5155332 0.91 CYSLTR2 (0.45) CYSLTR2TDP1HRH2HRH1HRH3
SCHEMBL5113803 0.90 POLB (0.48) CYSLTR2KMT2AHPGDALDH1A1NPC1
SCHEMBL5158015 0.88 CYSLTR2 (0.45) CYSLTR2TDP1MEN1KMT2AHRH2
SCHEMBL5125519 0.87 CYSLTR2 (0.54) CYSLTR2TDP1MEN1KMT2AHPGD
SCHEMBL5119101 0.86 CYSLTR2 (0.58) CYSLTR2MEN1KMT2AHPGDRAB9A
SCHEMBL5174823 0.86 CYSLTR2 (0.43) CYSLTR2TDP1MEN1KMT2AHRH2
SCHEMBL5125642 0.86 CYSLTR2 (0.52) CYSLTR2HRH3KCNH2
SCHEMBL5115310 0.85 ALDH1A1 (0.44) MEN1KMT2AHRH2HRH1HRH3
SCHEMBL5125683 0.84 CYSLTR2 (0.61) CYSLTR2MEN1KMT2AHRH3

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 4/4885TDP1 4108/4885MEN1 4745/4885

“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.