SCHEMBL6743530

SCHEMBL6743530

CCCCCCCNCCc1ccc(CO)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.66
S1PR1 P21453 6/20 0.59
S1PR3 Q99500 6/20 0.59
S1PR2 O95136 5/20 0.59
S1PR4 O95977 3/20 0.59
HRH3 Q9Y5N1 2/20 0.49
HRH4 Q9H3N8 1/20 0.49
THRA P10827 1/20 0.48
THRB P10828 1/20 0.48
ADORA3 P0DMS8 3/20 0.47
SLC6A2 P23975 3/20 0.47
SLC6A4 P31645 3/20 0.47
SLC6A3 Q01959 3/20 0.47
CHRM1 P11229 2/20 0.47
ADRA2B P18089 2/20 0.47
ADRA2C P18825 2/20 0.47
PTGS2 P35354 2/20 0.47
ADRB2 P07550 1/20 0.47
DRD1 P21728 1/20 0.47
ADRA1A P35348 1/20 0.47

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
SCHEMBL7269000 0.86 ADORA3 (0.67) SIGMAR1S1PR1S1PR3S1PR2S1PR4
SCHEMBL7264259 0.86 ADORA3 (0.67) SIGMAR1S1PR1S1PR3S1PR2S1PR4
SCHEMBL7270395 0.86 ADORA3 (0.67) SIGMAR1S1PR1S1PR3S1PR2S1PR4
SCHEMBL7262774 0.86 ADORA3 (0.67) SIGMAR1S1PR1S1PR3S1PR2S1PR4
SCHEMBL7268944 0.86 ADORA3 (0.67) SIGMAR1S1PR1S1PR3S1PR2S1PR4
SCHEMBL7262815 0.86 ADORA3 (0.67) SIGMAR1S1PR1S1PR3S1PR2S1PR4
SCHEMBL7264132 0.86 ADORA3 (0.67) SIGMAR1S1PR1S1PR3S1PR2S1PR4
SCHEMBL7270403 0.86 ADORA3 (0.67) SIGMAR1S1PR1S1PR3S1PR2S1PR4
SCHEMBL7263375 0.86 ADORA3 (0.67) SIGMAR1S1PR1S1PR3S1PR2S1PR4
SCHEMBL7271182 0.86 ADORA3 (0.67) SIGMAR1S1PR1S1PR3S1PR2S1PR4

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 SIGMAR1 1098/4885S1PR1 635/4885S1PR3 561/4885

“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.