SCHEMBL5118320

SCHEMBL5118320

CCOC(=O)c1ccc(OCCCc2ccc(OCc3ccc(OC(C)C)cc3)cc2)c(CC(=O)O)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 2/20 0.41
TP53 P04637 1/20 0.41
RXRA P19793 2/20 0.40
RXRB P28702 2/20 0.40
FFAR4 Q5NUL3 1/20 0.39
KDM4E B2RXH2 1/20 0.39
PPARD Q03181 1/20 0.38
MAOB P27338 2/20 0.38
ALDH1A1 P00352 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
PPARG P37231 2/20 0.37
FOS P01100 1/20 0.37
JUN P05412 1/20 0.37
ALOX5 P09917 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL5117838 0.88 L3MBTL1 (0.37) LMNAL3MBTL1MAPTTP53RXRA
SCHEMBL5126747 0.87 MAPT (0.39) LMNAL3MBTL1MAPTTP53PPARD
SCHEMBL5114822 0.86 KMT2A (0.39) LMNAL3MBTL1MAPTTP53KDM4E
SCHEMBL14131791 0.85 POLB (0.47) L3MBTL1MAPTPPARG
SCHEMBL5125048 0.85 MAPT (0.42) LMNAMAPTTP53ALDH1A1NPC1
SCHEMBL5125966 0.82 CYSLTR2 (0.38) LMNAL3MBTL1MAPTTP53KDM4E
SCHEMBL5119065 0.82 ALDH1A1 (0.43) L3MBTL1MAPTALDH1A1NPC1RAB9A
SCHEMBL5186666 0.82 YAP1 (0.39) MAPTTP53ALDH1A1NPC1RAB9A
SCHEMBL5111705 0.81 CYSLTR2 (0.43) MAPTTP53KDM4EALDH1A1NPC1
SCHEMBL5111852 0.80 ALDH1A1 (0.44) LMNARXRARXRBKDM4EALDH1A1

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 LMNA 504/4885L3MBTL1 174/4885MAPT 4633/4885

“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.