SCHEMBL2399080

SCHEMBL2399080

Brc1ccc(COc2ccc(Br)cc2)cc1

nearest known ligand 0.80

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.80
RXRA P19793 1/20 0.69
RXRB P28702 1/20 0.69
MAOB P27338 9/20 0.67
CA12 O43570 1/20 0.67
CA1 P00915 1/20 0.67
CA2 P00918 1/20 0.67
CA7 P43166 1/20 0.67
CA9 Q16790 1/20 0.67
FFAR1 O14842 2/20 0.65
FFAR4 Q5NUL3 1/20 0.65
MAOA P21397 6/20 0.59
IDO1 P14902 2/20 0.56
PPARA Q07869 1/20 0.53

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
SCHEMBL3618116 0.91 APP (0.69) APPRXRARXRBMAOBCA12
SCHEMBL11601389 0.91 APP (0.69) APPRXRARXRBMAOBCA12
SCHEMBL13929696 0.89 APP (0.67) APPRXRARXRBMAOBCA12
SCHEMBL15271017 0.89 APP (1.00) APPRXRARXRBMAOBCA12
SCHEMBL2270908 0.89 MAOB (0.69) APPRXRARXRBMAOBCA12
SCHEMBL18429678 0.89 MAOB (0.69) APPRXRARXRBMAOBCA12
SCHEMBL14154468 0.89 APP (0.67) APPRXRARXRBMAOBCA12
SCHEMBL21221839 0.89 MAOB (0.67) APPRXRARXRBMAOBCA12
SCHEMBL21568939 0.89 MAOB (0.67) APPRXRARXRBMAOBCA12
SCHEMBL16295189 0.89 APP (0.67) APPRXRARXRBMAOBCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1961756-B1 NOVEL BISBORON COMPOUND JAPAN SCIENCE & TECH AGENCY (JP) 2016-04-27 EP disclosed
US-8853424-B2 Protein cross-linking inhibitor JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2014-10-07 US disclosed
US-8017809-B2 Bisboron compound JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-09-13 US disclosed
US-20110212919-A1 PROTEIN CROSS-LINKING INHIBITOR JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-09-01 US disclosed
US-20100087645-A1 NOVEL BISBORON COMPOUND JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2010-04-08 US disclosed
EP-1961756-A1 NOVEL BISBORON COMPOUND Japan Science and Technology Agency (JP) 2008-08-27 EP 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-20110212919-A1 PROTEIN CROSS-LINKING INHIBITOR BAZ2B, PRMT1, BRIX1 APP 3361/4885RXRA 1994/4885RXRB 883/4885
US-20100087645-A1 NOVEL BISBORON COMPOUND KCNMB4, CA2, NR0B2 APP 3735/4885RXRA 1400/4885RXRB 620/4885

“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.