SCHEMBL6744697

SCHEMBL6744697

CCCCCCCN(CCc1ccc(CC(Sc2ccccc2)C(=O)OCC)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC2 Q92769 2/20 0.38
NCOR2 Q9Y618 2/20 0.38
CA12 O43570 7/20 0.37
CA1 P00915 7/20 0.37
CA2 P00918 7/20 0.37
PPARG P37231 3/20 0.37
PPARA Q07869 3/20 0.37
PPARD Q03181 2/20 0.37
CA4 P22748 3/20 0.37
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
CNR2 P34972 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL6746612 0.88 HDAC3 (0.39) HDAC3HDAC1HDAC2NCOR2CA12
SCHEMBL6746599 0.87 PPARA (0.37) HDAC3HDAC1HDAC2NCOR2CA12
SCHEMBL6744728 0.86 PPARA (0.37) HDAC3HDAC1HDAC2NCOR2CA12
SCHEMBL6744038 0.83 PPARA (0.39) HDAC3HDAC1HDAC2NCOR2CA12
SCHEMBL6746951 0.83 PPARA (0.47) HDAC3HDAC1HDAC2NCOR2CA12
SCHEMBL6746542 0.82 HDAC3 (0.41) HDAC3HDAC1HDAC2NCOR2CA12
SCHEMBL6744042 0.79 PPARA (0.51) PPARGPPARAPPARDL3MBTL1
SCHEMBL6750124 0.77 PPARA (0.47) HDAC3HDAC1HDAC2NCOR2PPARG
SCHEMBL25047708 0.76 HDAC3 (0.48) HDAC3HDAC1HDAC2NCOR2CA12
SCHEMBL6744419 0.76 L3MBTL1 (0.38) HDAC3HDAC1HDAC2NCOR2CA12

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 HDAC3 353/4885HDAC1 1496/4885HDAC2 1468/4885

“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.