SCHEMBL5125546

SCHEMBL5125546

CC(C)Oc1ccc(COc2ccc(CCCOc3ccc(C(=O)O)cc3CC(=O)N3CCC(C(=O)O)CC3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 2/20 0.43
S1PR5 Q9H228 3/20 0.39
YAP1 P46937 5/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
POLB P06746 2/20 0.38
S1PR1 P21453 1/20 0.38
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CCR5 P51681 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PTGER1 P34995 1/20 0.36
PTGER4 P35408 1/20 0.36
PTGER3 P43115 1/20 0.36
PTGER2 P43116 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
SCHEMBL5151988 0.91 YAP1 (0.38) CYSLTR2YAP1RXRARXRBPOLB
SCHEMBL13918346 0.87 CYSLTR2 (0.49) CYSLTR2S1PR5YAP1RXRARXRB
SCHEMBL5119065 0.84 ALDH1A1 (0.43) YAP1NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL5124125 0.83 CYSLTR2 (0.53) CYSLTR2RXRARXRBPOLBNPC1
SCHEMBL5124864 0.82 CYSLTR2 (0.48) CYSLTR2S1PR5POLBS1PR1NPC1
SCHEMBL14131825 0.82 CYSLTR2 (0.60) CYSLTR2S1PR5POLBS1PR1NPC1
SCHEMBL5146168 0.82 CYSLTR2 (0.60) CYSLTR2YAP1RXRARXRBNPC1
SCHEMBL5186666 0.81 YAP1 (0.39) YAP1NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL13918418 0.79 CYSLTR2 (0.49) CYSLTR2S1PR5YAP1RXRARXRB
SCHEMBL13918328 0.79 CYSLTR2 (0.49) CYSLTR2S1PR5YAP1RXRARXRB

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 5 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
EP-1740540-A1 PHENYL ACETAMIDES Bayer HealthCare AG (DE) 2007-01-10 EP disclosed
WO-2005103001-A1 PHENYL ACETAMIDES BAYER HEALTHCARE AG (DE) 2005-11-03 WO 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 4/4885S1PR5 298/4885YAP1 4513/4885

“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.