SCHEMBL6746587

SCHEMBL6746587

CCOC(=O)C(=Cc1ccc(C2(CNCCCCCCCC(=O)OC(C)(C)C)CC2)cc1)OCC

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.34
NAMPT P43490 1/20 0.34
LTA4H P09960 1/20 0.32
FPR3 P25089 1/20 0.32
FPR2 P25090 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
LMNA P02545 2/20 0.31
MAPT P10636 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
S1PR4 O95977 1/20 0.31
S1PR1 P21453 1/20 0.31
MAPK1 P28482 1/20 0.31
DRD2 P14416 2/20 0.31
CYP4Z1 Q86W10 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
SCHEMBL6747532 0.82 CYP4Z1 (0.41) NAMPTLTA4HALDH1A1HDAC8MEN1
SCHEMBL6747543 0.76 PPARG (0.36) EPHX2LTA4HHDAC8SLC6A2SLC6A4
SCHEMBL6360225 0.75 LTA4H (0.41) EPHX2NAMPTLTA4HALDH1A1HDAC8
SCHEMBL6746583 0.73 CA14 (0.32) EPHX2MEN1KMT2ALMNAMAPT
SCHEMBL6746590 0.73 CA14 (0.32) EPHX2MEN1KMT2ALMNAMAPT
SCHEMBL16839038 0.67 OPRM1 (0.43) MEN1KMT2ALMNAMAPTNPSR1
SCHEMBL16839035 0.67 GAA (0.48) NAMPTLTA4HALDH1A1LMNASLC6A4
SCHEMBL5606938 0.65 CA12 (0.48) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL5606934 0.65 CA12 (0.48) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL27643241 0.65 CYP1A2 (0.53) EPHX2ALDH1A1KMT2AMAPTCYP1A2

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 EPHX2 1983/4885NAMPT 2068/4885LTA4H 1224/4885

“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.