SCHEMBL6359745

SCHEMBL6359745

CCCCCCCN(CCc1cccc(OC(C)(CC)C(=O)O)c1)C(=O)Cc1cc(OC)ccc1OC

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 10/20 0.49
PPARG P37231 9/20 0.49
ACHE P22303 1/20 0.43
CYP2D6 P10635 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
PPARD Q03181 1/20 0.41
BCHE P06276 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL6545370 1.00 PPARA (0.49) PPARAPPARGACHECYP2D6CYP1A2
SCHEMBL6545385 1.00 PPARA (0.49) PPARAPPARGACHECYP2D6CYP1A2
SCHEMBL6356366 0.90 PPARA (0.55) PPARAPPARGPPARD
SCHEMBL6359324 0.89 PPARA (0.53) PPARAPPARGCYP2D6PPARD
SCHEMBL6438279 0.85 PPARA (0.51) PPARAPPARGACHEPPARDBCHE
SCHEMBL6364752 0.83 PPARA (0.63) PPARAPPARGPPARD
SCHEMBL6544584 0.83 PPARA (0.54) PPARAPPARGCYP2D6PPARD
SCHEMBL6361346 0.83 PPARA (0.54) PPARAPPARGCYP2D6PPARD
SCHEMBL6545379 0.83 PPARA (0.54) PPARAPPARGCYP2D6PPARD
SCHEMBL6363391 0.82 PPARA (0.60) PPARAPPARGCYP2D6PPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2004520397-A 2004-07-08 JP claimed
EP-1372632-A1 PROLIFERATIVE ACTIVATOR RECEPTOR (PPAR) COMPOUNDS Pfizer Products Inc. (US) 2004-01-02 EP claimed
US-20020169192-A1 PPAR compounds HAYWARD CHERYL M (US) 2002-11-14 US claimed
WO-2002064130-A1 PROLIFERATIVE ACTIVATOR RECEPTOR (PPAR) COMPOUNDS PFIZER PRODUCTS INC. (US) 2002-08-22 WO claimed
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
US-20020169192-A1 PPAR compounds HAYWARD CHERYL M (US) 2002-11-14 US 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 PPARA 1/4885PPARG 2/4885ACHE 3565/4885
US-20050075377-A1 PPAR compounds PPARA, PPARG, PPARD PPARA 1/4885PPARG 2/4885ACHE 3565/4885

“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.