SCHEMBL4575333

SCHEMBL4575333

CC(C)(C)OC(=O)C(C)(C)Oc1ccc(CCNCc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 7/20 0.48
PPARD Q03181 5/20 0.48
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ATM Q13315 1/20 0.44
ADRB3 P13945 3/20 0.43
PPARG P37231 3/20 0.43
EPHX2 P34913 2/20 0.42
LTA4H P09960 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL4576063 0.91 PPARA (0.50) PPARAPPARDALDH1A1MEN1KMT2A
SCHEMBL4575310 0.88 PPARA (0.50) PPARAPPARDALDH1A1MEN1KMT2A
SCHEMBL4575229 0.87 PPARA (0.61) PPARAPPARDALDH1A1ADRB3PPARG
SCHEMBL14277890 0.82 KDM4E (0.48) PPARAPPARDALDH1A1MEN1KMT2A
SCHEMBL6785236 0.80 L3MBTL1 (0.45) PPARAPPARDALDH1A1MEN1KMT2A
SCHEMBL4575602 0.78 PPARA (0.52) PPARAALDH1A1MEN1KMT2AATM
SCHEMBL4575705 0.78 PTGDR2 (0.46) PPARAPPARDALDH1A1MEN1KMT2A
SCHEMBL6638762 0.77 ADRB3 (0.59) PPARAPPARDALDH1A1MEN1KMT2A
SCHEMBL6407513 0.76 KDM4E (0.64) PPARAPPARDALDH1A1MEN1KMT2A
SCHEMBL4575528 0.75 PPARA (0.44) PPARAPPARDMEN1KMT2AADRB3

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-7319104-B2 hPPARs activators SMITHKLINE BEECHAM CORPORATION (US) 2008-01-15 US disclosed
US-7319104-B2 hPPARs activators SMITHKLINE BEECHAM CORPORATION (US) 2008-01-15 US disclosed
US-7319104-B2 hPPARs activators SMITHKLINE BEECHAM CORPORATION (US) 2008-01-15 US disclosed
US-20050137212-A1 Hppars activators SMITHKLINE BEECHAM CORPORATION 2005-06-23 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-20050137212-A1 Hppars activators PPARG, PPARA, PPARD PPARA 2/4885PPARD 3/4885ALDH1A1 645/4885

“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.