SCHEMBL4575820

SCHEMBL4575820

COC(=O)C(C)(C)Oc1ccc(CCNCc2ccc(-c3noc(C(C)C)n3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 7/20 0.47
FFAR1 O14842 2/20 0.44
HDAC1 Q13547 2/20 0.43
HDAC8 Q9BY41 1/20 0.43
ALDH1A1 P00352 1/20 0.42
PPARD Q03181 6/20 0.42
HDAC2 Q92769 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
ACACB O00763 4/20 0.39
ADRB3 P13945 3/20 0.39
ADRB2 P07550 1/20 0.39
ADRB1 P08588 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
SCHEMBL4575873 0.80 PPARD (0.45) PPARAFFAR1HDAC1HDAC8PPARD
SCHEMBL4575380 0.77 SPHK1 (0.43) PPARAHDAC1HDAC8ALDH1A1
SCHEMBL4575610 0.76 TUBB4A (0.43) PPARAHDAC1HDAC8ALDH1A1
SCHEMBL4575136 0.75 PPARA (0.52) PPARAALDH1A1PPARDADRB3
SCHEMBL4576063 0.73 PPARA (0.50) PPARAALDH1A1PPARDMEN1KMT2A
SCHEMBL4575159 0.70 ALDH1A1 (0.59) PPARAALDH1A1MEN1KMT2AATM
SCHEMBL4575078 0.69 FFAR1 (0.42) PPARAFFAR1PPARDACACB
SCHEMBL4575602 0.66 PPARA (0.52) PPARAALDH1A1MEN1KMT2AATM
SCHEMBL4575333 0.66 PPARA (0.48) PPARAALDH1A1PPARDMEN1KMT2A
SCHEMBL24385980 0.66 DPP4 (0.56) PPARAPPARDACACB

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 2/4885FFAR1 16/4885HDAC1 79/4885

“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.