SCHEMBL6747543

SCHEMBL6747543

CCOC(Cc1ccc(C2(CNCCCCCCCC(=O)OC(C)(C)C)CC2)cc1)C(=O)OC

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.36
PPARA Q07869 4/20 0.36
EPHX2 P34913 1/20 0.34
LTA4H P09960 1/20 0.32
HDAC1 Q13547 6/20 0.32
HDAC6 Q9UBN7 6/20 0.32
PTPRF P10586 1/20 0.31
PTPN2 P17706 1/20 0.31
PTPN1 P18031 1/20 0.31
SLC6A2 P23975 3/20 0.31
SLC6A4 P31645 3/20 0.31
SLC6A3 Q01959 3/20 0.31
HDAC8 Q9BY41 1/20 0.31

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
SCHEMBL6743037 0.87 PPARA (0.35) PPARGPPARASLC6A2SLC6A4SLC6A3
SCHEMBL6744721 0.84 PPARA (0.40) PPARGPPARALTA4HHDAC8
SCHEMBL6361340 0.77 LTA4H (0.37) PPARGPPARALTA4HHDAC8
SCHEMBL6746587 0.76 EPHX2 (0.34) EPHX2LTA4HSLC6A2SLC6A4SLC6A3
SCHEMBL6745446 0.75 PPARA (0.36) PPARGPPARAHDAC1HDAC6
SCHEMBL6744680 0.75 HDAC8 (0.36) EPHX2LTA4HHDAC1HDAC6HDAC8
SCHEMBL6743967 0.73 HDAC2 (0.33) PPARGPPARAEPHX2LTA4HHDAC1
SCHEMBL6750127 0.70 PPARG (0.42) PPARGPPARALTA4HHDAC1HDAC6
SCHEMBL6746546 0.70 LTA4H (0.44) PPARGPPARALTA4HHDAC1HDAC6
SCHEMBL6744422 0.70 LTA4H (0.36) PPARGPPARALTA4HHDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6699904-B2 PEROXISOME PROLIFERATOR ACTIVATOR RECEPTOR (PPAR) AGONISTS; ATHEROSCLEROSIS AND CARDIOVASCULAR DISORDERS; FOR EXAMPLE, 3-(4-(2-(3-(2,4-DIMETHOXY-PHENYL)-1-HEPTYL-UREIDO)-ETHYL)-PHENYL)-2-ETHOXY -PROPIONIC ACID PFIZER INC. 2004-03-02 US disclosed
EP-1360172-A1 PPAR AGONISTS Pfizer Products Inc. (US) 2003-11-12 EP disclosed
US-20020165282-A1 Peroxisome proliferator activator receptor (PPAR) agonists; atherosclerosis and cardiovascular disorders; for example, 3-(4-(2-(3-(2,4-dimethoxy-phenyl)-1-heptyl-ureido)-ethyl)-phenyl)-2-ethoxy -propionic acid HAYWARD CHERYL M (US) 2002-11-07 US disclosed
WO-2002064549-A1 PPAR AGONISTS PFIZER PRODUCTS INC. (US) 2002-08-22 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-20020165282-A1 Peroxisome proliferator activator receptor (PPAR) agonists; atherosclerosis and cardiovascular disorders; for example, 3-(4-(2-(3-(2,4-dimethoxy-phenyl)-1-heptyl-ureido)-ethyl)-phenyl)-2-ethoxy -propionic acid PPARA, PPARG, PPARD PPARG 2/4885PPARA 1/4885EPHX2 1983/4885

“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.