SCHEMBL6743028

SCHEMBL6743028

CCCCCCCN(CCc1ccc(CC(OCC)C(=O)OC)cc1)C(=O)N(C)c1ccc(C)cc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA12 O43570 7/20 0.38
CA1 P00915 7/20 0.38
CA2 P00918 7/20 0.38
CA4 P22748 3/20 0.38
PPARA Q07869 5/20 0.37
PPARG P37231 4/20 0.37
CNR2 P34972 4/20 0.37
PPARD Q03181 2/20 0.35
THRA P10827 2/20 0.34
THRB P10828 2/20 0.34
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34

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
SCHEMBL6750171 0.91 PPARA (0.43) CA12CA1CA2CA4PPARA
SCHEMBL6745484 0.88 CNR2 (0.41) CA12CA1CA2CA4PPARA
SCHEMBL7177105 0.86 CNR2 (0.34) PPARAPPARGCNR2PPARD
SCHEMBL6359185 0.85 PPARG (0.50) CA12CA1CA2PPARAPPARG
SCHEMBL6746892 0.83 PPARA (0.51) CA12CA1CA2CA4PPARA
SCHEMBL6746895 0.82 PPARA (0.35) CA12CA1CA2CA4PPARA
SCHEMBL6744717 0.80 PPARA (0.41) CA12CA1CA2CA4PPARA
SCHEMBL6747805 0.78 PPARA (0.47) CA12CA1CA2CA4PPARA
SCHEMBL6746407 0.78 PPARA (0.47) CA12CA1CA2CA4PPARA
SCHEMBL6746410 0.78 PPARA (0.47) CA12CA1CA2CA4PPARA

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 2 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
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

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 CA12 4885/4885CA1 4877/4885CA2 4849/4885

“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.