SCHEMBL5861929

SCHEMBL5861929

O=C(O)Cn1ccc(OCc2ccccc2)c(Br)c1=O

nearest known ligand 0.73

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 14/20 0.73
GRM2 Q14416 1/20 0.43
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
KMT2A Q03164 1/20 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
SCHEMBL4473993 0.87 MAPK14 (0.70) MAPK14GRM2THRATHRB
SCHEMBL4470415 0.85 MAPK14 (1.00) MAPK14GRM2KMT2A
SCHEMBL4383208 0.84 MAPK14 (0.81) MAPK14KMT2A
SCHEMBL4382431 0.83 MAPK14 (0.77) MAPK14GRM2KMT2A
SCHEMBL4477627 0.82 MAPK14 (0.67) MAPK14GRM2
SCHEMBL8100824 0.82 MAPK14 (0.49) MAPK14KMT2A
SCHEMBL4475064 0.81 MAPK14 (0.81) MAPK14
SCHEMBL4385111 0.80 MAPK14 (0.64) MAPK14GRM2
SCHEMBL4474779 0.80 MAPK14 (0.90) MAPK14GRM2KMT2A
SCHEMBL4379270 0.79 MAPK14 (0.77) MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040058964-A1 Substituted pyridinones PHARMACIA LLC 2004-03-25 US claimed
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 MAPK14 41/4885GRM2 1349/4885ITGB3 1949/4885
US-20050176775-A1 Substituted pyridinones MAPK1, MAPK6, MAP3K6 MAPK14 53/4885GRM2 1436/4885ITGB3 1940/4885

“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.