SCHEMBL4575452

SCHEMBL4575452

CCOC(=O)C(C)(C)Oc1ccc(C(C)(C)CNCc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 13/20 0.50
PPARD Q03181 9/20 0.50
ABCB11 O95342 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
TSHR P16473 1/20 0.50
HTR2A P28223 1/20 0.50
PMP22 Q01453 1/20 0.50
PPARG P37231 8/20 0.44
FBP1 P09467 1/20 0.42
EPHX2 P34913 3/20 0.42
NR1H4 Q96RI1 1/20 0.41
KCNQ3 O43525 1/20 0.41
KCNQ2 O43526 1/20 0.41

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
SCHEMBL4575310 0.87 PPARA (0.50) PPARAPPARDABCB11CYP1A2CYP3A4
SCHEMBL7977777 0.84 PPARA (0.68) PPARAPPARDABCB11CYP1A2CYP3A4
SCHEMBL16839699 0.81 KCNQ2 (0.49) PPARAPPARDPPARGEPHX2KCNQ3
SCHEMBL21991459 0.81 PPARA (0.62) PPARAPPARDABCB11CYP1A2CYP3A4
SCHEMBL3943535 0.81 PPARA (0.62) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL21991824 0.80 MAOB (0.59) PPARAPPARDABCB11CYP1A2CYP3A4
SCHEMBL16838978 0.80 EPHX2 (0.49) PPARAPPARDCYP3A4PPARGEPHX2
Hydrochloric Acid SCHEMBL11448538 0.80 PPARA (0.61) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL1549422 0.79 PPARA (0.64) PPARAPPARDABCB11CYP1A2CYP3A4
SCHEMBL5648539 0.78 PPARA (0.48) PPARAPPARDPPARGFBP1EPHX2

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-20050137212-A1 Hppars activators SMITHKLINE BEECHAM CORPORATION 2005-06-23 US disclosed
EP-1480957-A1 HPPARS ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2004-12-01 EP disclosed
WO-2003074495-A1 HPPARS ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2003-09-12 WO 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 3/4885ABCB11 358/4885

“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.