Sugi Predict

Sugi Predict / Compounds / SCHEMBL5117838

SCHEMBL5117838

SCHEMBL5117838

C=CCOC(=O)Cc1cc(C(=O)OCC)ccc1OCCCc1ccc(OCc2ccc(OC(C)C)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 5/20 0.37
▸ LMNA P02545 3/20 0.37
▸ MAPT P10636 5/20 0.36
▸ TP53 P04637 1/20 0.36
▸ MAPK1 P28482 2/20 0.35
▸ MAOB P27338 2/20 0.35
▸ ALDH1A1 P00352 4/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ RXRA P19793 1/20 0.34
▸ RXRB P28702 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ F2 P00734 1/20 0.33

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
SCHEMBL5118320 0.88 LMNA (0.43) L3MBTL1LMNAMAPTTP53MAOB
SCHEMBL5119091 0.86 MAPT (0.43) L3MBTL1MAPTKMT2APOLB
SCHEMBL5126747 0.84 MAPT (0.39) L3MBTL1LMNAMAPTTP53MAPK1
SCHEMBL5114822 0.83 KMT2A (0.39) L3MBTL1LMNAMAPTTP53MAPK1
SCHEMBL5125048 0.82 MAPT (0.42) LMNAMAPTTP53ALDH1A1NPC1
SCHEMBL5118032 0.82 ESR1 (0.39) MAPT
SCHEMBL5118301 0.81 CYSLTR2 (0.46) L3MBTL1LMNAMAPTMAPK1ALDH1A1
SCHEMBL5125966 0.78 CYSLTR2 (0.38) L3MBTL1LMNAMAPTTP53MAPK1
SCHEMBL5119065 0.78 ALDH1A1 (0.43) L3MBTL1MAPTALDH1A1NPC1RAB9A
SCHEMBL5186666 0.78 YAP1 (0.39) MAPTTP53ALDH1A1NPC1RAB9A

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 L3MBTL1 174/4885LMNA 504/4885MAPT 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.