SCHEMBL4822589

SCHEMBL4822589

CC(C)(O)c1ccc(Br)c2c1OCO2

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.33

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
SCHEMBL6167953 0.77 NR3C1 (0.35)
SCHEMBL4820423 0.75 NR3C1 (0.38)
SCHEMBL13058886 0.71 CA2 (0.33)
SCHEMBL3536675 0.70 ABCG2 (0.41)
SCHEMBL20392875 0.70 AOC3 (0.37) AOC3
SCHEMBL15688428 0.70 AOC3 (0.37) AOC3
SCHEMBL25310588 0.67 AOC3 (0.39) AOC3
SCHEMBL6837756 0.67 ALDH1A1 (0.43) AOC3
SCHEMBL28784846 0.67 AOC3 (0.33) AOC3
SCHEMBL28524665 0.67 ALDH1A1 (0.51) AOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7329753-B2 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors SCHERING AG (DE) 2008-02-12 US disclosed
EP-1492771-B1 QUINOLINE AND ISOQUINOLINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS ANTI-INFLAMMATORY AGENTS SCHERING AG (DE) 2007-02-28 EP disclosed
US-20060229333-A1 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2006-10-12 US disclosed
US-7109212-B2 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors SCHERING AG (DE) 2006-09-19 US disclosed
US-20050165050-A1 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2005-07-28 US disclosed
US-6897224-B2 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors SCHERING AG (DE) 2005-05-24 US disclosed
EP-1492771-A1 QUINOLINE AND ISOQUINOLINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS ANTI-INFLAMMATORY AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 2005-01-05 EP disclosed
US-20040116694-A1 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors SCHERING AG (DE) 2004-06-17 US disclosed
WO-2003082827-A1 QUINOLINE AND ISOQUINOLINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS ANTI-INFLAMMATORY AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 2003-10-09 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-20060229333-A1 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors NFKBIA, IL1B, IRF3 AOC3 3313/4885
US-20050165050-A1 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors NFKBIA, IL1B, IRF3 AOC3 3313/4885

“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.