SCHEMBL4428841

SCHEMBL4428841

CCOC(=O)C(C)(C)Oc1cc(OCCc2ccc(-c3ccc(C(F)(F)F)cc3)nc2C)c2ccccc2c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.42
PPARA Q07869 7/20 0.42
L3MBTL1 Q9Y468 2/20 0.35
ALDH1A1 P00352 1/20 0.35
PPARD Q03181 2/20 0.35
GPR119 Q8TDV5 4/20 0.35
LTB4R Q15722 1/20 0.34
TDP1 Q9NUW8 2/20 0.34
MCL1 Q07820 1/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL4422107 0.94 PPARA (0.40) PPARGPPARAL3MBTL1ALDH1A1PPARD
SCHEMBL4429318 0.92 TDP1 (0.36) PPARGPPARAL3MBTL1ALDH1A1PPARD
SCHEMBL4419575 0.91 PPARA (0.43) PPARGPPARAPPARDLTB4R
SCHEMBL4427331 0.87 PPARD (0.38) PPARGPPARAL3MBTL1ALDH1A1PPARD
SCHEMBL4425021 0.85 PPARA (0.42) PPARGPPARAALDH1A1PPARDLTB4R
SCHEMBL6029235 0.84 PPARG (0.39) PPARGPPARAPPARDLTB4RMCL1
SCHEMBL1549441 0.84 PPARA (0.42) PPARGPPARAL3MBTL1ALDH1A1PPARD
SCHEMBL4422758 0.83 PPARA (0.45) PPARGPPARAALDH1A1PPARDLTB4R
SCHEMBL5669942 0.82 PPARA (0.41) PPARGPPARAL3MBTL1ALDH1A1PPARD
SCHEMBL1550306 0.82 PPARD (0.48) PPARGPPARAPPARD

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-7495001-B2 Benzannelated derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2009-02-24 US disclosed
EP-1682507-A1 BENZANNELATED COMPOUNDS AS PPAR ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2006-07-26 EP disclosed
WO-2005049572-A1 BENZANNELATED COMPOUNDS AS PPAR ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-06-02 WO disclosed
US-20050096336-A1 Benzannelated derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. 2005-05-05 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-20050096336-A1 Benzannelated derivatives, their manufacture and use as pharmaceutical agents PPARD, PPARA, PPARG PPARG 3/4885PPARA 2/4885L3MBTL1 3372/4885

“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.