SCHEMBL4422084

SCHEMBL4422084

CCOC(=O)C(C)(C)Oc1cc(OCCc2cnc(-c3ccc(C(F)(F)F)cc3)nc2C2CC2)c2ccccc2c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 7/20 0.38
PPARG P37231 6/20 0.38
TDP1 Q9NUW8 2/20 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
PPARD Q03181 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GPR119 Q8TDV5 5/20 0.33
MAOB P27338 1/20 0.33
LTB4R Q15722 1/20 0.32
TRPM8 Q7Z2W7 2/20 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
SCHEMBL4424003 0.94 PPARA (0.36) PPARAPPARGTDP1FOSJUN
SCHEMBL4431066 0.93 TDP1 (0.37) PPARAPPARGTDP1FOSJUN
SCHEMBL4417616 0.91 PPARA (0.40) PPARAPPARGPPARDLTB4R
SCHEMBL4427565 0.85 PPARA (0.41) PPARAPPARGPPARDLTB4R
SCHEMBL4427460 0.84 PPARD (0.42) PPARAPPARGTDP1PPARDLTB4R
SCHEMBL4428841 0.82 PPARG (0.42) PPARAPPARGTDP1PPARDL3MBTL1
SCHEMBL1550070 0.81 PPARD (0.43) PPARAPPARGFOSJUNNFKB1
SCHEMBL1549914 0.79 PPARD (0.40) PPARAPPARGFOSJUNNFKB1
SCHEMBL1549623 0.78 PPARA (0.40) PPARAPPARGPPARD
SCHEMBL1549750 0.78 PPARD (0.53) PPARAPPARGPPARDMAOB

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 3/4885TDP1 4343/4885

“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.