SCHEMBL5118136

SCHEMBL5118136

CCOC(=O)c1ccc(OCCCc2ccc(OCCCCOc3ccccc3)cc2)c(CC(=O)Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
CASP6 P55212 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PPARG P37231 9/20 0.46
CYSLTR2 Q9NS75 1/20 0.44
LTB4R Q15722 3/20 0.44
LTB4R2 Q9NPC1 3/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
FFAR1 O14842 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
SCHEMBL14131791 0.92 POLB (0.47) POLBCASP6TDP1L3MBTL1PPARG
SCHEMBL5119091 0.85 MAPT (0.43) POLBCASP6TDP1L3MBTL1PPARG
SCHEMBL5126470 0.84 KMT2A (0.48) POLBCYSLTR2KMT2AMEN1MAPT
SCHEMBL4510798 0.84 CYSLTR2 (0.53) POLBCASP6TDP1L3MBTL1PPARG
SCHEMBL5118515 0.83 MAPT (0.52) POLBKMT2AMEN1MAPT
SCHEMBL4522699 0.83 POLB (0.48) POLBCASP6TDP1L3MBTL1PPARG
SCHEMBL5125642 0.79 CYSLTR2 (0.52) PPARGCYSLTR2LTB4RLTB4R2
SCHEMBL5125533 0.78 PTGES (0.41) PPARGCYSLTR2
SCHEMBL5118320 0.77 LMNA (0.43) L3MBTL1PPARGMAPT
SCHEMBL4373451 0.77 KMT2A (0.61) TDP1L3MBTL1PPARGKMT2AMEN1

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 POLB 2277/4885CASP6 3457/4885TDP1 4108/4885

“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.