SCHEMBL6743037

SCHEMBL6743037

CCCCCCCNCC1(c2ccc(CC(OCC)C(=O)OC)cc2)CC1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 7/20 0.35
PPARG P37231 3/20 0.35
ALDH1A1 P00352 2/20 0.34
PPARD Q03181 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.33
SLC6A2 P23975 3/20 0.33
SLC6A4 P31645 3/20 0.33
SLC6A3 Q01959 3/20 0.33
GRIA1 P42261 1/20 0.33
S1PR2 O95136 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33

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
SCHEMBL6747543 0.87 PPARG (0.36) PPARAPPARGSLC6A2SLC6A4SLC6A3
SCHEMBL1863034 0.82 HRH4 (0.49) LMNAS1PR2S1PR1S1PR3
SCHEMBL6745292 0.81 S1PR1 (0.47) PPARAPPARGGRIA1S1PR2S1PR1
Hydrochloric Acid SCHEMBL6743506 0.80 S1PR1 (0.46) PPARAPPARGS1PR2S1PR1S1PR3
SCHEMBL6745446 0.77 PPARA (0.36) PPARAPPARG
SCHEMBL6358153 0.73 CYP2D6 (0.46) PPARAPPARGS1PR2S1PR1S1PR3
Hydrochloric Acid SCHEMBL6746576 0.72 CYP2D6 (0.45) PPARAPPARGS1PR2S1PR1S1PR3
SCHEMBL6746999 0.72 SOAT1 (0.50) PPARAPPARGPPARD
SCHEMBL5981175 0.71 LTA4H (0.52) PPARAPPARGALDH1A1PPARDS1PR2
SCHEMBL6746895 0.71 PPARA (0.35) PPARAPPARGPPARD

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 2/4885ALDH1A1 1183/4885

“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.