SCHEMBL6358153

SCHEMBL6358153

CCCCCCCNCCc1cccc(CC(OCC)C(=O)OC)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 7/20 0.46
SIGMAR1 Q99720 1/20 0.46
KCNH2 Q12809 2/20 0.43
PPARG P37231 2/20 0.41
PPARA Q07869 2/20 0.41
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
TLR7 Q9NYK1 1/20 0.39
CHRM2 P08172 1/20 0.39
S1PR2 O95136 1/20 0.39
S1PR4 O95977 1/20 0.39
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 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 SCHEMBL6746576 0.99 CYP2D6 (0.45) CYP2D6SIGMAR1KCNH2PPARGPPARA
SCHEMBL6745292 0.89 S1PR1 (0.47) SIGMAR1PPARGPPARAS1PR2S1PR4
Hydrochloric Acid SCHEMBL6743506 0.87 S1PR1 (0.46) SIGMAR1PPARGPPARAS1PR2S1PR4
SCHEMBL6361340 0.86 LTA4H (0.37) CYP2D6PPARGPPARACHRM2
SCHEMBL1863034 0.82 HRH4 (0.49) CYP2D6CYP1A2CYP2C19CHRM2S1PR2
SCHEMBL6361337 0.77 PPARA (0.40) CYP2D6PPARGPPARA
SCHEMBL5374852 0.76 PPARG (0.46) PPARGPPARA
SCHEMBL6357812 0.75 PPARG (0.43) PPARGPPARACYP1A2CYP2C19
SCHEMBL1861279 0.74 PPARG (0.44) PPARGPPARA
SCHEMBL6744721 0.74 PPARA (0.40) PPARGPPARAS1PR2S1PR4S1PR1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050075377-A1 PPAR compounds PFIZER INC 2005-04-07 US disclosed
EP-1372632-A1 PROLIFERATIVE ACTIVATOR RECEPTOR (PPAR) COMPOUNDS Pfizer Products Inc. (US) 2004-01-02 EP disclosed
EP-1360172-A1 PPAR AGONISTS Pfizer Products Inc. (US) 2003-11-12 EP disclosed
US-20020169192-A1 PPAR compounds HAYWARD CHERYL M (US) 2002-11-14 US disclosed
WO-2002064549-A1 PPAR AGONISTS PFIZER PRODUCTS INC. (US) 2002-08-22 WO disclosed
WO-2002064130-A1 PROLIFERATIVE ACTIVATOR RECEPTOR (PPAR) COMPOUNDS 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 (2 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-20020169192-A1 PPAR compounds PPARA, PPARG, PPARD CYP2D6 2291/4885SIGMAR1 1433/4885KCNH2 4703/4885
US-20050075377-A1 PPAR compounds PPARA, PPARG, PPARD CYP2D6 2291/4885SIGMAR1 1433/4885KCNH2 4703/4885

“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.