SCHEMBL4387429

SCHEMBL4387429

COC(=O)c1ccc(-n2c(C)cc(O)cc2=O)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
ALOX15 P16050 2/20 0.46
HSD17B10 Q99714 2/20 0.46
MYC P01106 1/20 0.46
ESR1 P03372 1/20 0.46
PTPN7 P35236 1/20 0.46
CASP3 P42574 1/20 0.44
LMNA P02545 3/20 0.43
CA12 O43570 3/20 0.43
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
CA7 P43166 3/20 0.43
CA9 Q16790 3/20 0.43
CA14 Q9ULX7 3/20 0.43
XDH P47989 1/20 0.43
HTR7 P34969 3/20 0.42
KDM4E B2RXH2 3/20 0.40
MAPT P10636 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40

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
SCHEMBL2706645 0.89 ALDH1A1 (0.60) ALDH1A1ALOX15HSD17B10CASP3LMNA
SCHEMBL4380059 0.87 CYP1A2 (0.49) ALDH1A1ALOX15HSD17B10CASP3LMNA
SCHEMBL4378061 0.87 ALDH1A1 (0.43) ALDH1A1ALOX15HSD17B10CASP3LMNA
SCHEMBL4375887 0.85 MYC (0.65) ALDH1A1ALOX15HSD17B10MYCESR1
SCHEMBL4378519 0.84 ALDH1A1 (0.45) ALDH1A1ALOX15HSD17B10CASP3LMNA
SCHEMBL4466843 0.84 ALDH1A1 (0.45) ALDH1A1ALOX15HSD17B10CASP3LMNA
SCHEMBL4383585 0.84 MAPT (0.46) ALDH1A1ALOX15CASP3LMNACA12
SCHEMBL27621545 0.83 ALDH1A1 (0.52) ALDH1A1HSD17B10MYCLMNACA12
SCHEMBL4377003 0.82 ALDH1A1 (0.53) ALDH1A1MYCLMNACA12CA1
SCHEMBL15714754 0.81 MYC (0.68) ALDH1A1ALOX15HSD17B10MYCESR1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7629363-B2 antiinflammatory agent for treating asthma and chronic pulmonary inflammatory disease PFIZER INC (US) 2009-12-08 US disclosed
US-7629363-B2 antiinflammatory agent for treating asthma and chronic pulmonary inflammatory disease PFIZER INC (US) 2009-12-08 US disclosed
EP-1490064-B1 SUBSTITUTED PYRIDINONES AS MODULATORS OF P38 MAP KINASE PHARMACIA CORP (US) 2009-11-18 EP disclosed
US-7067540-B2 Substituted pyridinones PHARMACIA CORPORATION (US) 2006-06-27 US disclosed
US-20050176775-A1 Substituted pyridinones PHARMACIA CORPORATION 2005-08-11 US disclosed
EP-1490064-A1 SUBSTITUTED PYRIDINONES AS MODULATORS OF P38 MAP KINASE Pharmacia Corporation (US) 2004-12-29 EP disclosed
US-20040058964-A1 Substituted pyridinones PHARMACIA LLC 2004-03-25 US disclosed
WO-2003068230-A1 SUBSTITUTED PYRIDINONES AS MODULATORS OF P38 MAP KINASE PHARMACIA CORPORATION (US) 2003-08-21 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 (2 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-20040058964-A1 Substituted pyridinones MAPK1, MAPK6, MAPK7 ALDH1A1 787/4885ALOX15 2346/4885HSD17B10 2927/4885
US-20050176775-A1 Substituted pyridinones MAPK1, MAPK6, MAP3K6 ALDH1A1 741/4885ALOX15 2032/4885HSD17B10 3172/4885

“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.