SCHEMBL3084976

SCHEMBL3084976

Cc1cc(Br)cc([Mg]Br)c1

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL63955 0.84 ALDH1A1 (0.45) ALDH1A1
SCHEMBL249769 0.74
SCHEMBL156099 0.74
SCHEMBL2345186 0.73 ACHE (0.36) ALDH1A1
SCHEMBL2585940 0.73 RAPGEF4 (0.33) ALDH1A1
SCHEMBL6291138 0.72 ALDH1A1 (0.48) ALDH1A1MAPK1
Fluoride SCHEMBL28049696 0.72 ALDH1A1 (0.48) ALDH1A1MAPK1
SCHEMBL18786828 0.70 ALDH1A1 (0.42) ALDH1A1MAPK1
SCHEMBL1013954 0.69
SCHEMBL30413148 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7795436-B2 Substituted tricyclic heterocycles as serotonin receptor agonists and antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2010-09-14 US disclosed
US-20070049613-A1 Substituted tricyclic heterocycles as serotonin receptor agonists and antagonists BRISTOL-MYERS SQUIBB COMPANY 2007-03-01 US disclosed
US-6951942-B2 Glucocorticoid-selective anti-inflammatory agents ABBOTT LABORATORIES (US) 2005-10-04 US disclosed
US-20030073703-A1 Glucocortiocoid-selective antinflammatory agents ABBOTT LABORATORIES AND LIGAND PHARMACEUTICALS INCORPORATED 2003-04-17 US disclosed
EP-1299392-A2 GLUCOCORTIOCOID-SELECTIVE ANTIINFLAMMATORY AGENTS Abbott Laboratories (US) 2003-04-09 EP disclosed
US-6506766-B1 A pharmaceutical composition for use in treating inflammation, immune, autoimmune, and inflammatory diseases in a mammal by selectively modulating the activation, repression, agonism, and antagonism effects of the mammal's glucocorticoid ABBOTT LABORATORIES 2003-01-14 US disclosed
EP-1053239-B1 GLUCOCORTICOID-SELECTIVE ANTI-INFLAMMATORY AGENTS ABBOTT LAB (US) 2003-01-08 EP disclosed
WO-2002002565-A2 GLUCOCORTIOCOID-SELECTIVE ANTIINFLAMMATORY AGENTS ABBOTT LABORATORIES (US) 2002-01-10 WO disclosed
EP-1053239-A1 GLUCOCORTICOID-SELECTIVE ANTI-INFLAMMATORY AGENTS ABBOTT LABORATORIES (US) 2000-11-22 EP disclosed
WO-1999041256-A1 GLUCOCORTICOID-SELECTIVE ANTI-INFLAMMATORY AGENTS ABBOTT LABORATORIES (US) 1999-08-19 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-20030073703-A1 Glucocortiocoid-selective antinflammatory agents NR3C1, GPR119, MC2R ALDH1A1 3187/4885MAPK1 466/4885
US-20070049613-A1 Substituted tricyclic heterocycles as serotonin receptor agonists and antagonists HTR2B, HTR2C, HTR1A ALDH1A1 1925/4885MAPK1 2475/4885

“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.