SCHEMBL6357795

SCHEMBL6357795

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

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 10/20 0.46
PPARG P37231 8/20 0.46
DRD2 P14416 2/20 0.42
OPRM1 P35372 2/20 0.42
DRD3 P35462 2/20 0.42
OPRD1 P41143 2/20 0.42
OPRK1 P41145 2/20 0.42
HDAC1 Q13547 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC2 Q92769 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LPL P06858 1/20 0.39
LIPG Q9Y5X9 1/20 0.39
CA14 Q9ULX7 1/20 0.38
PPARD Q03181 1/20 0.38

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
SCHEMBL6743523 0.88 PPARG (0.44) PPARAPPARGHDAC1HDAC3HDAC2
SCHEMBL6357792 0.85 PPARA (0.43) PPARAPPARGDRD2OPRM1DRD3
SCHEMBL25047708 0.81 HDAC3 (0.48) DRD2OPRM1DRD3OPRD1OPRK1
SCHEMBL6361337 0.81 PPARA (0.40) PPARAPPARGDRD2OPRM1DRD3
SCHEMBL6743966 0.80 PPARG (0.44) PPARAPPARGHDAC1HDAC3HDAC2
SCHEMBL6360227 0.79 PPARA (0.42) PPARAPPARGDRD2OPRM1DRD3
SCHEMBL6360224 0.79 PPARA (0.42) PPARAPPARGDRD2OPRM1DRD3
SCHEMBL136485 0.78 CA14 (0.55) HDAC1HDAC3HDAC2NCOR2L3MBTL1
SCHEMBL140146 0.78 CA14 (0.55) HDAC1HDAC3HDAC2NCOR2L3MBTL1
SCHEMBL1962811 0.78 CA14 (0.55) HDAC1HDAC3HDAC2NCOR2L3MBTL1

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 2/4885DRD2 2271/4885
US-20050075377-A1 PPAR compounds PPARA, PPARG, PPARD PPARA 1/4885PPARG 2/4885DRD2 2271/4885

“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.