Sugi Predict

Sugi Predict / Compounds / SCHEMBL5111852

SCHEMBL5111852

SCHEMBL5111852

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.41
▸ RXRA P19793 2/20 0.41
▸ RXRB P28702 2/20 0.41
▸ GCK P35557 2/20 0.40
▸ ITGB3 P05106 1/20 0.40
▸ ITGA2B P08514 1/20 0.40
▸ NR1H4 Q96RI1 2/20 0.39
▸ PTGER1 P34995 1/20 0.39
▸ PTGER4 P35408 1/20 0.39
▸ PTGER3 P43115 1/20 0.39
▸ PTGER2 P43116 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ PLA2G2D Q9UNK4 1/20 0.39
▸ ALPL P05186 1/20 0.38
▸ ALPI P09923 1/20 0.38

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
SCHEMBL5111176 0.92 KDM4E (0.45) KDM4ERXRARXRBGCKNR1H4
SCHEMBL5118044 0.91 KDM4E (0.44) KDM4ERXRARXRBGCKALPL
SCHEMBL5118927 0.85 ALDH1A1 (0.51) ALDH1A1LMNANR1H4PTGER1PTGER4
SCHEMBL5126747 0.83 MAPT (0.39) ALDH1A1LMNANR1H4NPC1POLB
SCHEMBL5124125 0.83 CYSLTR2 (0.53) KDM4ERXRARXRBGCKNR1H4
SCHEMBL5146168 0.81 CYSLTR2 (0.60) KDM4ERXRARXRBGCKNR1H4
SCHEMBL5118320 0.80 LMNA (0.43) ALDH1A1LMNAKDM4ERXRARXRB
SCHEMBL5114822 0.80 KMT2A (0.39) ALDH1A1LMNAKDM4ESMN1; SMN2KMT2A
SCHEMBL5125546 0.78 CYSLTR2 (0.43) ALDH1A1RXRARXRBPTGER1PTGER4
SCHEMBL5118877 0.78 CYSLTR2 (0.58) ALDH1A1LMNANR1H4PTGER4PLA2G2D

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 ALDH1A1 285/4885LMNA 504/4885KDM4E 1139/4885

“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.