SCHEMBL4424003

SCHEMBL4424003

CCOC(=O)C(C)(C)Oc1cc(OCCc2cnc(-c3ccc(C(F)(F)F)cc3)nc2C2CC2)cc2ccccc12

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 8/20 0.36
PPARG P37231 7/20 0.36
PPARD Q03181 3/20 0.35
FOS P01100 1/20 0.35
JUN P05412 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
TDP1 Q9NUW8 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GPR119 Q8TDV5 5/20 0.33
MAOB P27338 1/20 0.33
FBP1 P09467 1/20 0.33
LTB4R Q15722 1/20 0.32
NR2E1 Q9Y466 1/20 0.32

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
SCHEMBL4422084 0.94 PPARA (0.38) PPARAPPARGPPARDFOSJUN
SCHEMBL4427565 0.91 PPARA (0.41) PPARAPPARGPPARDLTB4R
SCHEMBL4431066 0.89 TDP1 (0.37) PPARAPPARGPPARDFOSJUN
SCHEMBL4417616 0.85 PPARA (0.40) PPARAPPARGPPARDLTB4R
SCHEMBL4422107 0.82 PPARA (0.40) PPARAPPARGPPARDTDP1L3MBTL1
SCHEMBL4427460 0.80 PPARD (0.42) PPARAPPARGPPARDTDP1LTB4R
SCHEMBL1549750 0.80 PPARD (0.53) PPARAPPARGPPARDMAOB
SCHEMBL1550099 0.79 GSTP1 (0.41) PPARAPPARGPPARDFOSJUN
SCHEMBL1550070 0.79 PPARD (0.43) PPARAPPARGPPARDFOSJUN
SCHEMBL1550624 0.78 PPARD (0.52) PPARAPPARGPPARD

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

“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.