SCHEMBL6745292

SCHEMBL6745292

CCCCCCCNCCc1ccc(CC(OCC)C(=O)OC)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 6/20 0.47
S1PR3 Q99500 6/20 0.47
S1PR2 O95136 5/20 0.47
S1PR4 O95977 3/20 0.47
SIGMAR1 Q99720 1/20 0.47
PPARA Q07869 9/20 0.43
PPARG P37231 6/20 0.43
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
GRIA1 P42261 1/20 0.39

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
Hydrochloric Acid SCHEMBL6743506 0.99 S1PR1 (0.46) S1PR1S1PR3S1PR2S1PR4SIGMAR1
SCHEMBL1863034 0.89 HRH4 (0.49) S1PR1S1PR3S1PR2S1PR4
SCHEMBL6358153 0.89 CYP2D6 (0.46) S1PR1S1PR3S1PR2S1PR4SIGMAR1
Hydrochloric Acid SCHEMBL6746576 0.88 CYP2D6 (0.45) S1PR1S1PR3S1PR2S1PR4SIGMAR1
SCHEMBL6744721 0.85 PPARA (0.40) S1PR1S1PR3S1PR2S1PR4PPARA
SCHEMBL6743037 0.81 PPARA (0.35) S1PR1S1PR3S1PR2PPARAPPARG
SCHEMBL5981175 0.79 LTA4H (0.52) S1PR1S1PR3S1PR2PPARAPPARG
SCHEMBL6745478 0.78 PPARG (0.42) PPARAPPARGCNR1CNR2
Hydrochloric Acid SCHEMBL5418327 0.78 SIGMAR1 (0.49) S1PR1S1PR3S1PR2S1PR4SIGMAR1
SCHEMBL6745484 0.76 CNR2 (0.41) PPARAPPARGCNR2

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 S1PR1 635/4885S1PR3 561/4885S1PR2 768/4885

“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.