SCHEMBL4517044

SCHEMBL4517044

OCCCc1ccc(OCCCCOc2ccccc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.72
EPHX2 P34913 1/20 0.72
FFAR1 O14842 3/20 0.61
KCNA3 P22001 1/20 0.59
ALDH1A1 P00352 1/20 0.59
RECQL P46063 1/20 0.59
DRD2 P14416 2/20 0.54
DRD4 P21917 2/20 0.54
DRD3 P35462 2/20 0.54
S1PR1 P21453 3/20 0.52
PPARG P37231 1/20 0.51
SLC2A1 P11166 1/20 0.51
S1PR3 Q99500 1/20 0.51
S1PR5 Q9H228 1/20 0.51
PLA2G4B P0C869 1/20 0.50

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
SCHEMBL13932991 0.96 LTA4H (0.72) LTA4HEPHX2FFAR1KCNA3ALDH1A1
SCHEMBL4519292 0.95 LTA4H (0.65) LTA4HEPHX2FFAR1KCNA3ALDH1A1
SCHEMBL4659369 0.93 LTA4H (0.73) LTA4HEPHX2FFAR1ALDH1A1DRD2
SCHEMBL14463874 0.93 LTA4H (0.77) LTA4HEPHX2FFAR1ALDH1A1RECQL
SCHEMBL8767683 0.92 LTA4H (0.62) LTA4HEPHX2FFAR1KCNA3ALDH1A1
SCHEMBL8767634 0.91 KCNA3 (0.61) LTA4HEPHX2FFAR1KCNA3ALDH1A1
SCHEMBL4870501 0.90 LTA4H (0.62) LTA4HEPHX2FFAR1ALDH1A1S1PR1
SCHEMBL4520940 0.89 ALDH1A1 (0.66) LTA4HEPHX2FFAR1KCNA3ALDH1A1
SCHEMBL28934486 0.88 LTA4H (0.65) LTA4HEPHX2FFAR1ALDH1A1RECQL
SCHEMBL4165319 0.87 FFAR1 (0.69) LTA4HEPHX2FFAR1ALDH1A1DRD2

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7498460-B2 Isophthalic acid derivatives BAYER HEALTHCARE AG (DE) 2009-03-03 US disclosed
US-7498460-B2 Isophthalic acid derivatives BAYER HEALTHCARE AG (DE) 2009-03-03 US disclosed
US-7498460-B2 Isophthalic acid derivatives BAYER HEALTHCARE AG (DE) 2009-03-03 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
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-1572628-B1 ISOPHTALIC ACID DERIVATIVES BAYER HEALTHCARE AG (DE) 2007-07-25 EP disclosed
EP-1572628-B1 ISOPHTALIC ACID DERIVATIVES BAYER HEALTHCARE AG (DE) 2007-07-25 EP disclosed
EP-1740540-A1 PHENYL ACETAMIDES Bayer HealthCare AG (DE) 2007-01-10 EP disclosed
US-20060154912-A1 Isophtalic acid derivatives BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-07-13 US disclosed
WO-2005103001-A1 PHENYL ACETAMIDES BAYER HEALTHCARE AG (DE) 2005-11-03 WO disclosed
EP-1572628-A1 ISOPHTALIC ACID DERIVATIVES Bayer HealthCare AG (DE) 2005-09-14 EP disclosed
WO-2004052839-A1 ISOPHTALIC ACID DERIVATIVES BAYER HEALTHCARE AG (DE) 2004-06-24 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 (2 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 LTA4H 6/4885EPHX2 1210/4885FFAR1 398/4885
US-20060154912-A1 Isophtalic acid derivatives VHL, FABP3, CPT1A LTA4H 281/4885EPHX2 214/4885FFAR1 832/4885

“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.