SCHEMBL4682807

SCHEMBL4682807

CNC(C)(c1ccc(OC(C)(C)C(=O)O)c(C)c1)c1cc(-c2ccc(C(F)(F)F)cc2)nn1Cc1ccc(OC)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 17/20 0.50
PPARA Q07869 17/20 0.50
PPARG P37231 13/20 0.50
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
NCOR2 Q9Y618 1/20 0.45
MAPT P10636 1/20 0.43

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
SCHEMBL4681908 0.92 MAPT (0.46) PPARDPPARAPPARGHDAC3HDAC4
SCHEMBL4679227 0.85 PPARD (0.52) PPARDPPARAPPARGHDAC3HDAC4
SCHEMBL4681739 0.85 PPARA (0.51) PPARDPPARAPPARGHDAC3HDAC4
SCHEMBL4679068 0.82 PPARA (0.54) PPARDPPARAPPARG
SCHEMBL4682810 0.82 PPARD (0.46) PPARDPPARAPPARG
SCHEMBL14446020 0.81 PPARA (0.51) PPARDPPARAPPARG
SCHEMBL4679028 0.79 PPARD (0.46) PPARDPPARAPPARGHDAC3HDAC4
SCHEMBL4679104 0.79 PPARG (0.43) PPARDPPARAPPARGHDAC3HDAC4
SCHEMBL4678789 0.78 MAPT (0.47) PPARDPPARAHDAC3HDAC4HDAC1
SCHEMBL4678198 0.78 PPARA (0.47) PPARDPPARAPPARGHDAC3HDAC4

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
EP-1513796-B1 PHENYLOXYALKANOIC ACID DERIVATIVES AS HPPAR ACTIVATORS SMITHKLINE BEECHAM CORP (US) 2008-02-13 EP claimed
US-7241793-B2 Phenyloxyalkanonic acid derivatives as hPPAR activators SMITHKLINE BEECHAM CORPORATION (US) 2007-07-10 US claimed
US-20050222424-A1 Phenyloxyalkanonic acid derivatives as hppar activators SMITHKLINE BEECHAM CORPORATION 2005-10-06 US claimed
EP-1513796-B1 PHENYLOXYALKANOIC ACID DERIVATIVES AS HPPAR ACTIVATORS SMITHKLINE BEECHAM CORP (US) 2008-02-13 EP disclosed
US-7241793-B2 Phenyloxyalkanonic acid derivatives as hPPAR activators SMITHKLINE BEECHAM CORPORATION (US) 2007-07-10 US disclosed
US-20050222424-A1 Phenyloxyalkanonic acid derivatives as hppar activators SMITHKLINE BEECHAM CORPORATION 2005-10-06 US 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-20050222424-A1 Phenyloxyalkanonic acid derivatives as hppar activators CEL, HPN, LIPA PPARD 223/4885PPARA 54/4885PPARG 70/4885

“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.