SCHEMBL4575358

SCHEMBL4575358

CCOC(=O)C(C)(C)Oc1ccc(CCNc2ncc(CC)cn2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 6/20 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
FBP1 P09467 1/20 0.42
PPARG P37231 2/20 0.42
GLA P06280 1/20 0.40
KMT2A Q03164 1/20 0.40
HDAC3 O15379 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
VNN1 O95497 1/20 0.40
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.39
OPRK1 P41145 1/20 0.39

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
SCHEMBL4575864 0.80 PPARA (0.47) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL1550142 0.80 PPARA (0.61) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL13763797 0.79 PPARA (0.71) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL4575121 0.79 EPHX2 (0.53) CYP1A2CYP3A4GLAKMT2AHDAC3
SCHEMBL11360795 0.77 PPARA (0.58) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL3692925 0.77 PPARA (0.58) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL3288292 0.76 PPARA (0.57) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL3341525 0.75 PPARA (0.68) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL4575602 0.75 PPARA (0.52) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL3692605 0.74 PPARA (0.65) 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.