SCHEMBL4513486

SCHEMBL4513486

COC(=O)CCc1ccc(OCCCCOc2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.64
LTA4H P09960 2/20 0.59
S1PR1 P21453 4/20 0.56
TDP1 Q9NUW8 1/20 0.56
LMNA P02545 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
S1PR3 Q99500 2/20 0.54
S1PR5 Q9H228 1/20 0.54
PPARG P37231 1/20 0.54
TAAR1 Q96RJ0 1/20 0.54
ADRB2 P07550 1/20 0.53
ADRB1 P08588 1/20 0.53
MAPT P10636 1/20 0.53
RAB9A P51151 1/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52

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
SCHEMBL8767670 0.96 FFAR1 (0.72) FFAR1LTA4HS1PR1LMNAL3MBTL1
SCHEMBL13932451 0.95 FFAR1 (0.60) FFAR1LTA4HTDP1LMNAL3MBTL1
4-Hydroxyhydrocinnamic Acid Methyl Ester SCHEMBL8767197 0.94 FFAR1 (0.58) FFAR1LTA4HS1PR1TDP1LMNA
SCHEMBL4658080 0.93 FFAR1 (0.72) FFAR1LTA4HS1PR1TDP1S1PR3
SCHEMBL947370 0.93 FFAR1 (0.73) FFAR1LTA4HS1PR1TDP1LMNA
SCHEMBL1745250 0.91 FFAR1 (0.72) FFAR1LTA4HS1PR1TDP1LMNA
SCHEMBL7528179 0.88 LMNA (0.62) FFAR1LMNAL3MBTL1ADRB2ADRB1
SCHEMBL14544256 0.87 FFAR1 (0.68) FFAR1LTA4HS1PR1S1PR3S1PR5
SCHEMBL25172916 0.87 LMNA (0.57) S1PR1LMNAL3MBTL1S1PR3S1PR5
SCHEMBL22439030 0.87 LMNA (0.57) S1PR1LMNAL3MBTL1S1PR3S1PR5

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 14 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
US-5872280-A RESPIRATORY SYSTEM DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 1999-02-16 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 (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 FFAR1 398/4885LTA4H 6/4885S1PR1 308/4885
US-20060154912-A1 Isophtalic acid derivatives VHL, FABP3, CPT1A FFAR1 832/4885LTA4H 281/4885S1PR1 4458/4885

“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.