SCHEMBL6743967

SCHEMBL6743967

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

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 1/20 0.33
CASP1 P29466 2/20 0.32
HDAC8 Q9BY41 1/20 0.32
TSHR P16473 1/20 0.32
LTA4H P09960 1/20 0.32
TBXA2R P21731 1/20 0.32
TBXAS1 P24557 1/20 0.32
HDAC1 Q13547 2/20 0.31
HDAC6 Q9UBN7 2/20 0.31
EPHX2 P34913 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31

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
SCHEMBL6744422 0.93 LTA4H (0.36) HDAC2HDAC8TSHRLTA4HPPARG
SCHEMBL6744721 0.88 PPARA (0.40) HDAC8LTA4HPPARGPPARA
SCHEMBL6744680 0.87 HDAC8 (0.36) HDAC8LTA4HHDAC1HDAC6EPHX2
SCHEMBL6750127 0.82 PPARG (0.42) TSHRLTA4HHDAC1HDAC6PPARG
SCHEMBL6361340 0.79 LTA4H (0.37) HDAC8LTA4HPPARGPPARA
SCHEMBL6746546 0.78 LTA4H (0.44) HDAC2HDAC8LTA4HHDAC1HDAC6
SCHEMBL6744039 0.76 LTA4H (0.41) HDAC8LTA4HEPHX2
SCHEMBL6746964 0.75 LTA4H (0.45) LTA4HPPARGPPARA
SCHEMBL6743963 0.74 L3MBTL1 (0.38) HDAC2HDAC1CA1CA2PPARG
SCHEMBL6747543 0.73 PPARG (0.36) HDAC8LTA4HHDAC1HDAC6EPHX2

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 HDAC2 1468/4885CASP1 2604/4885HDAC8 1648/4885

“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.