SCHEMBL5115310

SCHEMBL5115310

CCOC(=O)c1ccc(OCCCc2ccc(OCCCC3CCCCC3)cc2)c(CC(=O)N2CCC(C(=O)OC)CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ATM Q13315 1/20 0.44
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
TSHR P16473 2/20 0.41
MAPT P10636 1/20 0.40
HRH3 Q9Y5N1 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
NMT2 O60551 2/20 0.38
NMT1 P30419 2/20 0.38
HRH2 P25021 1/20 0.38
HRH1 P35367 1/20 0.38
KCNH2 Q12809 1/20 0.38

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 0.91 CYSLTR2 (0.47) ALDH1A1MEN1KMT2AATMNPC1
SCHEMBL5173022 0.90 NMT2 (0.39) ALDH1A1MEN1KMT2AATMHRH3
SCHEMBL5125689 0.85 CYSLTR2 (0.42) MEN1KMT2ANMT2NMT1
SCHEMBL5124933 0.85 CYSLTR2 (0.47) MEN1KMT2ARAB9ANMT2NMT1
SCHEMBL5119065 0.85 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AATMNPC1
SCHEMBL5118730 0.85 CYSLTR2 (0.48) ALDH1A1MEN1KMT2AATMNPC1
SCHEMBL5125533 0.84 PTGES (0.41) HRH3KCNH2
SCHEMBL5124864 0.83 CYSLTR2 (0.48) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL14131831 0.83 ESR1 (0.41) ALDH1A1MEN1KMT2ANMT2NMT1
SCHEMBL4517590 0.82 CYSLTR2 (0.44) ALDH1A1MEN1KMT2ANPC1RAB9A

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 ALDH1A1 285/4885MEN1 4745/4885KMT2A 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.