SCHEMBL4384906

SCHEMBL4384906

COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc(O)cc2=O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.56
CA12 O43570 2/20 0.51
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
CA7 P43166 2/20 0.51
CA9 Q16790 2/20 0.51
CA14 Q9ULX7 2/20 0.51
KDM4E B2RXH2 5/20 0.49
LMNA P02545 3/20 0.42
POLB P06746 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
GAA P10253 1/20 0.42
NFKB1 P19838 1/20 0.42
XDH P47989 1/20 0.42
GFER P55789 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
FUT7 Q11130 1/20 0.42
MAPT P10636 2/20 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
SCHEMBL13635225 0.93 ALDH1A1 (0.50) ALDH1A1CA12CA1CA2CA7
SCHEMBL4377003 0.87 ALDH1A1 (0.53) ALDH1A1CA12CA1CA2CA7
SCHEMBL4379826 0.86 ALDH1A1 (0.60) ALDH1A1CA12CA1CA2CA7
SCHEMBL4384693 0.83 NR4A1 (0.59) ALDH1A1CA12CA1CA2CA7
SCHEMBL6504363 0.79 MYC (0.41) ALDH1A1CA12CA1CA2CA7
SCHEMBL4384468 0.78 ALDH1A1 (0.52) ALDH1A1CA12CA1CA2CA7
SCHEMBL2706645 0.77 ALDH1A1 (0.60) ALDH1A1CA12CA1CA2CA7
SCHEMBL4387429 0.77 ALDH1A1 (0.47) ALDH1A1CA12CA1CA2CA7
SCHEMBL7737462 0.77 NR4A1 (0.65) ALDH1A1CA12CA1CA2CA7
SCHEMBL4378519 0.75 ALDH1A1 (0.45) ALDH1A1CA12CA1CA2CA7

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 7 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
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
US-20040058964-A1 Substituted pyridinones PHARMACIA LLC 2004-03-25 US 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 787/4885CA12 4885/4885CA1 4840/4885
US-20050176775-A1 Substituted pyridinones MAPK1, MAPK6, MAP3K6 ALDH1A1 741/4885CA12 4884/4885CA1 4841/4885

“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.