SCHEMBL6750171

SCHEMBL6750171

CCCCCCCN(CCc1ccc(CC(OCC)C(=O)OC)cc1)C(=O)N(C)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 7/20 0.43
PPARG P37231 7/20 0.43
CA12 O43570 8/20 0.43
CA1 P00915 8/20 0.43
CA2 P00918 8/20 0.43
CA4 P22748 4/20 0.42
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
CNR2 P34972 1/20 0.39
PPARD Q03181 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
SCHEMBL6746892 0.92 PPARA (0.51) PPARAPPARGCA12CA1CA2
SCHEMBL6743028 0.91 CA12 (0.38) PPARAPPARGCA12CA1CA2
SCHEMBL6745484 0.81 CNR2 (0.41) PPARAPPARGCA12CA1CA2
SCHEMBL6744717 0.80 PPARA (0.41) PPARAPPARGCA12CA1CA2
SCHEMBL6744395 0.78 PPARG (0.40) PPARAPPARGCA12CA1CA2
SCHEMBL6359185 0.78 PPARG (0.50) PPARAPPARGCA12CA1CA2
SCHEMBL7177105 0.78 CNR2 (0.34) PPARAPPARGCNR2PPARD
SCHEMBL25230065 0.77 NPC1 (0.54) CNR2
SCHEMBL11264858 0.77 NPC1 (0.54) CNR2
SCHEMBL3967724 0.76 PPARA (0.46) PPARAPPARGCA12CA1CA2

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 PPARA 1/4885PPARG 2/4885CA12 4885/4885

“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.