SCHEMBL4575602

SCHEMBL4575602

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.52
ABCB11 O95342 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
TSHR P16473 1/20 0.52
HTR2A P28223 1/20 0.52
PMP22 Q01453 1/20 0.52
SCN8A Q9UQD0 1/20 0.46
EPHX2 P34913 4/20 0.46
PPARG P37231 2/20 0.46
NR1H4 Q96RI1 1/20 0.46
POLB P06746 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ATM Q13315 1/20 0.45
SLC6A5 Q9Y345 1/20 0.45
ADRB3 P13945 3/20 0.44
ALDH1A1 P00352 2/20 0.44
FBP1 P09467 1/20 0.44
LTA4H P09960 1/20 0.43

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 0.91 PPARA (0.50) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL4575159 0.87 ALDH1A1 (0.59) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL6638762 0.85 ADRB3 (0.59) PPARAEPHX2PPARGNR1H4MEN1
SCHEMBL3692925 0.84 PPARA (0.58) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL8794052 0.83 PPARA (0.71) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL3288292 0.83 PPARA (0.57) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL3943535 0.82 PPARA (0.62) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL4786341 0.82 PPARA (0.56) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL4574722 0.81 ALDH1A1 (0.50) PPARAABCB11CYP1A2CYP3A4TSHR
Hydrochloric Acid SCHEMBL11448538 0.81 PPARA (0.61) PPARAABCB11CYP1A2CYP3A4TSHR

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 6 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
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 2/4885ABCB11 358/4885CYP1A2 668/4885

“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.