SCHEMBL5146168

SCHEMBL5146168

CC(C)Oc1ccc(COc2ccc(CCCOc3ccc(C(=O)O)cc3CC(=O)NC3CCCC(C(=O)O)C3)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 2/20 0.60
HPGD P15428 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
RXRB P28702 3/20 0.36
RXRA P19793 2/20 0.36
TAOK1 Q7L7X3 1/20 0.36
TAOK3 Q9H2K8 1/20 0.36
GCK P35557 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
SLC6A5 Q9Y345 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
SCHEMBL5124125 0.95 CYSLTR2 (0.53) CYSLTR2HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL4522096 0.89 CYSLTR2 (0.77) CYSLTR2HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL5111705 0.86 CYSLTR2 (0.43) CYSLTR2HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL5114957 0.84 CYSLTR2 (0.79) CYSLTR2HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL5125895 0.84 CYSLTR2 (0.65) CYSLTR2HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL13918414 0.83 CYSLTR2 (0.78) CYSLTR2HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL5125546 0.82 CYSLTR2 (0.43) CYSLTR2NPC1RAB9ASMN1; SMN2RXRB
SCHEMBL5111852 0.81 ALDH1A1 (0.44) CYSLTR2NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL5118044 0.81 KDM4E (0.44) RXRBRXRAGCKKDM4E
SCHEMBL13918387 0.81 CYSLTR2 (0.77) CYSLTR2MEN1KMT2ARXRBRXRA

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 4/4885HPGD 112/4885NPC1 1795/4885

“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.