SCHEMBL4427331

SCHEMBL4427331

CCOC(=O)C(C)(C)Oc1cc(OCc2ccc(-c3ccc(C(F)(F)F)cc3)nc2C)cc2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 10/20 0.38
PPARA Q07869 6/20 0.38
PPARG P37231 4/20 0.36
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
GPR119 Q8TDV5 2/20 0.36
TDP1 Q9NUW8 1/20 0.35
MAOB P27338 1/20 0.35
FBP1 P09467 1/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 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
SCHEMBL4429318 0.93 TDP1 (0.36) PPARDPPARAPPARGALDH1A1L3MBTL1
SCHEMBL4422107 0.92 PPARA (0.40) PPARDPPARAPPARGALDH1A1L3MBTL1
SCHEMBL4424222 0.91 PPARD (0.47) PPARDPPARAPPARGALDH1A1
SCHEMBL4428841 0.87 PPARG (0.42) PPARDPPARAPPARGALDH1A1L3MBTL1
SCHEMBL1549983 0.86 PPARD (0.46) PPARDPPARAPPARGALDH1A1L3MBTL1
SCHEMBL1550014 0.85 PPARD (0.44) PPARDPPARAPPARGMAOB
SCHEMBL1550281 0.85 PPARD (0.53) PPARDPPARAPPARG
SCHEMBL4422758 0.84 PPARA (0.45) PPARDPPARAPPARGALDH1A1
SCHEMBL4425021 0.83 PPARA (0.42) PPARDPPARAPPARGALDH1A1
SCHEMBL1549438 0.78 PPARD (0.46) PPARDPPARAPPARG

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 PPARD 1/4885PPARA 2/4885PPARG 3/4885

“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.