SCHEMBL6989385

SCHEMBL6989385

COc1ccc(/C=C2/C(=O)c3ccc(C)cc3C2Br)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.43
ALKBH3 Q96Q83 1/20 0.43
MAPT P10636 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALOX5 P09917 4/20 0.41
KIT P10721 1/20 0.40
CYP1A2 P05177 1/20 0.40
RELA Q04206 1/20 0.40
MIF P14174 1/20 0.39
PIM1 P11309 1/20 0.39
AKR1B1 P15121 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CYP19A1 P11511 2/20 0.39
EGFR P00533 1/20 0.39

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
SCHEMBL6990418 0.91 MAOB (0.49) MAOBMAPTNPSR1KITCYP1A2
SCHEMBL6987171 0.84 MAOB (0.48) MAOBMAPTNPSR1ALOX5CYP1A2
SCHEMBL6990493 0.83 MAOB (0.52) MAOBMAPTNPSR1MIFCYP19A1
SCHEMBL6988351 0.83 NPSR1 (0.57) MAOBMAPTNPSR1ALOX5CYP1A2
SCHEMBL6984468 0.76 ALDH1A1 (0.44) MAOBMAPTNPSR1ALOX5
SCHEMBL6987510 0.76 CYP1A2 (0.56) MAOBMAPTNPSR1ALOX5CYP1A2
SCHEMBL6987143 0.75 CYP1A2 (0.45) MAPTNPSR1CYP1A2RELAMIF
SCHEMBL13192051 0.75 MAOB (0.49) MAOBMAPTNPSR1KITCYP1A2
SCHEMBL6984448 0.71 MAOB (0.71) MAOBMIFCYP19A1
SCHEMBL18290554 0.69 CYP1A2 (0.42) MAOBMAPTNPSR1CYP1A2RELA

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
US-9682919-B2 Small molecule inhibitors of Dusp6 and uses therefor University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2017-06-20 US disclosed
US-20160355459-A1 Small Molecule Inhibitors of Dusp6 and Uses Therefor UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2016-12-08 US disclosed
US-9439877-B2 Small molecule inhibitors of Dusp6 and uses therefor University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2016-09-13 US disclosed
US-20160113889-A1 Small Molecule Inhibitors of Dusp6 and Uses Therefor UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2016-04-28 US disclosed
US-9127016-B2 Small molecule inhibitors of Dusp6 and uses therefor University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2015-09-08 US disclosed
US-20120122992-A1 SMALL MOLECULE INHIBITORS OF Dusp6 AND USES THEREFOR University of Pittsburgh-Of the Commonwealth Syste (US) 2012-05-17 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 (3 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-20160113889-A1 Small Molecule Inhibitors of Dusp6 and Uses Therefor DUSP26, DUSP6, DUSP2 MAOB 4129/4885ALKBH3 3903/4885MAPT 4486/4885
US-20160355459-A1 Small Molecule Inhibitors of Dusp6 and Uses Therefor DUSP26, DUSP6, DUSP2 MAOB 4129/4885ALKBH3 3903/4885MAPT 4486/4885
US-20120122992-A1 SMALL MOLECULE INHIBITORS OF Dusp6 AND USES THEREFOR DUSP26, DUSP6, DUSP2 MAOB 4129/4885ALKBH3 3903/4885MAPT 4486/4885

“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.