SCHEMBL6750127

SCHEMBL6750127

COC(=O)C(Cc1ccc(CCNCCCCCCCC(=O)OC(C)(C)C)cc1)Oc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.42
PPARA Q07869 6/20 0.42
LTA4H P09960 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
S1PR1 P21453 3/20 0.39
S1PR3 Q99500 1/20 0.39
S1PR5 Q9H228 1/20 0.39
PTPN1 P18031 1/20 0.38
HDAC1 Q13547 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL6746964 0.93 LTA4H (0.45) PPARGPPARALTA4HS1PR1S1PR3
SCHEMBL6744680 0.88 HDAC8 (0.36) LTA4HMEN1KMT2AHDAC1HDAC6
SCHEMBL6744721 0.85 PPARA (0.40) PPARGPPARALTA4HS1PR1S1PR3
SCHEMBL6743967 0.82 HDAC2 (0.33) PPARGPPARALTA4HHDAC1HDAC6
SCHEMBL6746546 0.80 LTA4H (0.44) PPARGPPARALTA4HPTPN1HDAC1
SCHEMBL6361340 0.78 LTA4H (0.37) PPARGPPARALTA4H
SCHEMBL6744699 0.77 LTA4H (0.43) LTA4HHDAC1HDAC6TSHR
SCHEMBL6744039 0.77 LTA4H (0.41) LTA4HS1PR1S1PR3
SCHEMBL6746616 0.77 LTA4H (0.44) LTA4HHDAC1HDAC6TSHR
SCHEMBL6744422 0.75 LTA4H (0.36) PPARGPPARALTA4HTSHR

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 1/4885LTA4H 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.