SCHEMBL5111176

SCHEMBL5111176

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
S1PR1 P21453 6/20 0.40
S1PR3 Q99500 2/20 0.40
LTB4R Q15722 1/20 0.40
ALPL P05186 1/20 0.40
ALPI P09923 1/20 0.40
ALPG P10696 1/20 0.40
PKM P14618 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MTNR1A P48039 2/20 0.40
FOS P01100 1/20 0.39
JUN P05412 1/20 0.39
GCK P35557 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
MTNR1B P49286 1/20 0.39
S1PR5 Q9H228 1/20 0.39
FFAR1 O14842 1/20 0.39
CYSLTR2 Q9NS75 1/20 0.39

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
SCHEMBL5118044 0.97 KDM4E (0.44) KDM4ERXRARXRBLTB4RALPL
SCHEMBL5111852 0.92 ALDH1A1 (0.44) KDM4ERXRARXRBALPLALPI
SCHEMBL5119629 0.85 S1PR1 (0.54) S1PR1S1PR3LTB4RMTNR1BS1PR5
SCHEMBL5114822 0.84 KMT2A (0.39) KDM4EMTNR1AMTNR1B
SCHEMBL5125048 0.82 MAPT (0.42) MTNR1AMTNR1B
SCHEMBL5124125 0.82 CYSLTR2 (0.53) KDM4ERXRARXRBGCKCYSLTR2
SCHEMBL5126642 0.82 CYSLTR2 (0.49) S1PR1S1PR3MTNR1BS1PR5FFAR1
SCHEMBL5146168 0.81 CYSLTR2 (0.60) KDM4ERXRARXRBGCKCYSLTR2
SCHEMBL5118320 0.80 LMNA (0.43) KDM4ERXRARXRBFOSJUN
SCHEMBL5126747 0.79 MAPT (0.39) TDP1MTNR1AMTNR1BNR1H4

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 KDM4E 1139/4885RXRA 2753/4885RXRB 2942/4885

“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.