SCHEMBL6744680

SCHEMBL6744680

COC(=O)C(Cc1ccc(CCNCCCCCCCC(=O)OC(C)(C)C)cc1)OC

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.36
SLC2A1 P11166 2/20 0.35
HDAC1 Q13547 4/20 0.35
HDAC6 Q9UBN7 4/20 0.35
EPHX2 P34913 1/20 0.35
LTA4H P09960 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 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
SCHEMBL6744721 0.91 PPARA (0.40) HDAC8LTA4H
SCHEMBL6750127 0.88 PPARG (0.42) HDAC1HDAC6LTA4HMEN1KMT2A
SCHEMBL6743967 0.87 HDAC2 (0.33) HDAC8HDAC1HDAC6EPHX2LTA4H
SCHEMBL6744039 0.82 LTA4H (0.41) HDAC8EPHX2LTA4H
SCHEMBL6361340 0.81 LTA4H (0.37) HDAC8LTA4H
SCHEMBL6746964 0.80 LTA4H (0.45) LTA4H
SCHEMBL6744729 0.80 LTA4H (0.38) HDAC8LTA4H
SCHEMBL6744422 0.80 LTA4H (0.36) HDAC8LTA4H
SCHEMBL6746546 0.80 LTA4H (0.44) HDAC8HDAC1HDAC6LTA4H
SCHEMBL6746601 0.79 LTA4H (0.38) HDAC8EPHX2LTA4H

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 HDAC8 1648/4885SLC2A1 2451/4885HDAC1 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.