SCHEMBL3362363

SCHEMBL3362363

COc1c(C(=O)O)cc2cc(-c3cc4ccccc4o3)ccc2c1Br

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.48
GRIN2A Q12879 1/20 0.48
GRIN2B Q13224 1/20 0.48
GRIN2C Q14957 1/20 0.48
MAOB P27338 3/20 0.46
GPR35 Q9HC97 2/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA3 P07451 1/20 0.45
TSHR P16473 1/20 0.45
CA4 P22748 1/20 0.45
CA6 P23280 1/20 0.45
CA5A P35218 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
CA5B Q9Y2D0 1/20 0.45
KDM4E B2RXH2 6/20 0.44
ALDH1A1 P00352 5/20 0.44
MEN1 O00255 3/20 0.44

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
SCHEMBL3397273 0.91 KDM4E (0.51) MAOBKDM4EALDH1A1MEN1KMT2A
SCHEMBL13302181 0.87 GRIN2D (0.49) GRIN2DGRIN2AGRIN2BGRIN2CMAOB
SCHEMBL13302399 0.86 GRIN2D (0.67) GRIN2DGRIN2AGRIN2BGRIN2CMAOB
SCHEMBL2780177 0.79 KDM4E (0.58) GRIN2DGRIN2AGRIN2BGRIN2CGPR35
SCHEMBL3331012 0.77 CYP19A1 (0.52) MAOBTSHRKDM4EALDH1A1MEN1
SCHEMBL3334375 0.74 GRIN2D (0.52) GRIN2DGRIN2AGRIN2BGRIN2CCA12
SCHEMBL1247877 0.73 ALOX5 (0.57) MAOBGPR35CA12CA1CA3
SCHEMBL569579 0.73 HSD17B10 (0.54) GRIN2DGRIN2AGRIN2BGRIN2CGPR35
SCHEMBL4650851 0.73 SMN1; SMN2 (0.47) MAOBGPR35CA12CA1CA3
SCHEMBL3331853 0.73 ALOX5 (0.64) MAOBCA1CA9KDM4EALDH1A1

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-8362066-B2 Compounds and methods for treating protein folding disorders TREVENTIS CORPORATION (US) 2013-01-29 US disclosed
US-20100144821-A1 COMPOUNDS AND METHODS FOR TREATING PROTEIN FOLDING DISORDERS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2010-06-10 US disclosed
EP-2081892-A1 COMPOUNDS AND METHODS FOR TREATING PROTEIN FOLDING DISORDERS Queen's University at Kingston (CA) 2009-07-29 EP disclosed
WO-2008058402-A1 COMPOUNDS AND METHODS FOR TREATING PROTEIN FOLDING DISORDERS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2008-05-22 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 (1 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-20100144821-A1 COMPOUNDS AND METHODS FOR TREATING PROTEIN FOLDING DISORDERS SNCA, MAPT, APP GRIN2D 4560/4885GRIN2A 4083/4885GRIN2B 4399/4885

“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.