SCHEMBL6745446

SCHEMBL6745446

CCCCCCCN(CC1(c2ccc(CC(OCC)C(=O)OC)cc2)CC1)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 11/20 0.36
PPARG P37231 9/20 0.36
HDAC1 Q13547 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC2 Q92769 1/20 0.33
NCOR2 Q9Y618 1/20 0.33
BIRC2 Q13490 1/20 0.33
CA14 Q9ULX7 1/20 0.31
CNR2 P34972 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL6744717 0.85 PPARA (0.41) PPARAPPARGHDAC1HDAC3HDAC2
SCHEMBL6745456 0.82 HDAC3 (0.37) PPARAPPARGHDAC1HDAC3HDAC2
SCHEMBL6746999 0.80 SOAT1 (0.50) PPARAPPARG
SCHEMBL6361337 0.78 PPARA (0.40) PPARAPPARGHDAC1HDAC3HDAC2
SCHEMBL6744678 0.77 PPARA (0.41) PPARAPPARGHDAC1HDAC3HDAC2
SCHEMBL6743037 0.77 PPARA (0.35) PPARAPPARG
SCHEMBL6746617 0.77 CA14 (0.34) HDAC1HDAC3HDAC2NCOR2CA14
SCHEMBL6743963 0.76 L3MBTL1 (0.38) PPARAPPARGHDAC1HDAC3HDAC2
SCHEMBL6747543 0.75 PPARG (0.36) PPARAPPARGHDAC1HDAC6
SCHEMBL6746590 0.75 CA14 (0.32) CA14

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 2/4885HDAC1 1496/4885

“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.