SCHEMBL6360227

SCHEMBL6360227

CCCCCCCN(CCc1cccc(C=C(OCC)C(=O)OCC)c1)C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 12/20 0.42
PPARG P37231 9/20 0.42
HDAC1 Q13547 2/20 0.36
EPHX2 P34913 1/20 0.36
DRD2 P14416 1/20 0.35
OPRM1 P35372 1/20 0.35
DRD3 P35462 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
PPARD Q03181 2/20 0.34
HDAC3 O15379 1/20 0.34
HDAC2 Q92769 1/20 0.34
NCOR2 Q9Y618 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
GPX4 P36969 1/20 0.34

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
SCHEMBL6360224 1.00 PPARA (0.42) PPARAPPARGHDAC1EPHX2DRD2
SCHEMBL6747530 0.89 PPARG (0.38) PPARAPPARGHDAC1PPARDHDAC3
SCHEMBL6747535 0.89 PPARG (0.38) PPARAPPARGHDAC1PPARDHDAC3
SCHEMBL6357792 0.84 PPARA (0.43) PPARAPPARGHDAC1DRD2OPRM1
SCHEMBL6545868 0.81 EPHX2 (0.32) PPARAPPARGEPHX2CA14NPC1
SCHEMBL6357795 0.79 PPARA (0.46) PPARAPPARGHDAC1DRD2OPRM1
SCHEMBL6746590 0.76 CA14 (0.32) EPHX2CA14
SCHEMBL6746583 0.76 CA14 (0.32) EPHX2CA14
SCHEMBL6361337 0.74 PPARA (0.40) PPARAPPARGHDAC1DRD2OPRM1
SCHEMBL6360225 0.74 LTA4H (0.41) PPARAPPARGHDAC1EPHX2HDAC3

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-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 2/4885HDAC1 468/4885
US-20050075377-A1 PPAR compounds PPARA, PPARG, PPARD PPARA 1/4885PPARG 2/4885HDAC1 468/4885

“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.