SCHEMBL6745478

SCHEMBL6745478

CCCCCCCC(C(=O)NCCc1ccc(CC(OCC)C(=O)OC)cc1)c1ccc(C)cc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.42
PPARA Q07869 8/20 0.42
MMP8 P22894 3/20 0.40
POLB P06746 1/20 0.40
GLA P06280 1/20 0.38
KMT2A Q03164 1/20 0.38
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
MMP3 P08254 2/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
KDM4A O75164 1/20 0.36

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
SCHEMBL6745292 0.78 S1PR1 (0.47) PPARGPPARACNR1CNR2
Hydrochloric Acid SCHEMBL6743506 0.77 S1PR1 (0.46) PPARGPPARACNR1CNR2
SCHEMBL6745484 0.75 CNR2 (0.41) PPARGPPARAPOLBCNR2
SCHEMBL6743028 0.72 CA12 (0.38) PPARGPPARACNR2
SCHEMBL6359185 0.72 PPARG (0.50) PPARGPPARA
SCHEMBL1863034 0.72 HRH4 (0.49)
SCHEMBL28920116 0.71 MEN1 (0.47) MMP8POLBKMT2A
SCHEMBL16684953 0.70 HDAC1 (0.48) MMP3
SCHEMBL5418850 0.70 STS (0.56) PPARGPPARAKMT2ACNR1
SCHEMBL2554435 0.69 PPARA (0.52) PPARGPPARAMMP8KMT2A

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 PPARG 2/4885PPARA 1/4885MMP8 3130/4885

“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.