SCHEMBL6746583

SCHEMBL6746583

CCCCCCCN(CC1(c2ccc(/C=C(\OCC)C(=O)OCC)cc2)CC1)C(=O)OC(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 1/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
LMNA P02545 2/20 0.32
MAPT P10636 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
S1PR4 O95977 1/20 0.32
S1PR1 P21453 1/20 0.32
MAPK1 P28482 1/20 0.32
EPHX2 P34913 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30
NFKB1 P19838 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 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
SCHEMBL6746590 1.00 CA14 (0.32) CA14MEN1KMT2ALMNAMAPT
SCHEMBL6746617 0.84 CA14 (0.34) CA14KMT2AMAPTSLC6A4SLC6A3
SCHEMBL6747530 0.83 PPARG (0.38) CA14MEN1KMT2ALMNAMAPT
SCHEMBL6747535 0.83 PPARG (0.38) CA14MEN1KMT2ALMNAMAPT
SCHEMBL6745456 0.79 HDAC3 (0.37) CA14S1PR1SLC6A4SLC6A3
SCHEMBL6360224 0.76 PPARA (0.42) CA14EPHX2
SCHEMBL6360227 0.76 PPARA (0.42) CA14EPHX2
SCHEMBL6745446 0.75 PPARA (0.36) CA14
SCHEMBL6746587 0.73 EPHX2 (0.34) MEN1KMT2ALMNAMAPTNPSR1
SCHEMBL6545868 0.72 EPHX2 (0.32) CA14MEN1KMT2ALMNAMAPT

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 CA14 4884/4885MEN1 4863/4885KMT2A 3747/4885

“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.