SCHEMBL5118927

SCHEMBL5118927

O=C(O)CNC(=O)Cc1cc(C(=O)O)ccc1OCCCc1ccc(OCCCCOc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
CYSLTR2 Q9NS75 1/20 0.49
NR1H4 Q96RI1 1/20 0.47
PLA2G4B P0C869 1/20 0.47
FFAR1 O14842 2/20 0.46
POLB P06746 1/20 0.45
CASP6 P55212 1/20 0.45
MTNR1B P49286 1/20 0.45
S1PR1 P21453 4/20 0.44
S1PR3 Q99500 2/20 0.44
PKM P14618 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
S1PR5 Q9H228 1/20 0.43
LTA4H P09960 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
SCHEMBL5119629 0.91 S1PR1 (0.54) CYSLTR2NR1H4PLA2G4BFFAR1MTNR1B
SCHEMBL5126642 0.89 CYSLTR2 (0.49) CYSLTR2NR1H4PLA2G4BFFAR1MTNR1B
SCHEMBL5118877 0.86 CYSLTR2 (0.58) ALDH1A1LMNACYSLTR2NR1H4PLA2G4B
SCHEMBL5117054 0.86 CYSLTR2 (0.46) ALDH1A1LMNACYSLTR2NR1H4MEN1
SCHEMBL5111852 0.85 ALDH1A1 (0.44) ALDH1A1LMNACYSLTR2NR1H4POLB
SCHEMBL5114501 0.78 CYSLTR2 (0.48) CYSLTR2FFAR1S1PR1S1PR3S1PR5
SCHEMBL5124904 0.78 CYSLTR2 (0.59) CYSLTR2FFAR1S1PR1S1PR3PKM
SCHEMBL5126470 0.78 KMT2A (0.48) ALDH1A1LMNACYSLTR2POLBMTNR1B
SCHEMBL14131791 0.78 POLB (0.47) FFAR1POLBCASP6MEN1KMT2A
SCHEMBL5118515 0.78 MAPT (0.52) POLBMTNR1BMEN1KMT2ALTA4H

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 285/4885LMNA 504/4885CYSLTR2 4/4885

“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.