SCHEMBL6984468

SCHEMBL6984468

COc1ccc(/C=C2/C(=O)c3ccc(C)cc3C2N2CCOCC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 2/20 0.44
PKM P14618 1/20 0.44
MAPK1 P28482 1/20 0.44
GAA P10253 1/20 0.42
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
HSP90AA1 P07900 1/20 0.41
CCR6 P51684 1/20 0.41
MEN1 O00255 1/20 0.41
MAOB P27338 4/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALOX5 P09917 2/20 0.38

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
SCHEMBL6993433 0.93 ALDH1A1 (0.46) ALDH1A1KDM4EPKMMAPK1MAPT
SCHEMBL18287264 0.91 ALDH1A1 (0.41) ALDH1A1KDM4EGAAMAPTKMT2A
SCHEMBL18994283 0.86 MAPT (0.51) ALDH1A1KDM4EPKMMAPK1MAPT
SCHEMBL6989385 0.76 MAOB (0.43) MAPTMAOBNPSR1ALOX5
SCHEMBL6987060 0.74 APP (0.40) ALDH1A1PKMMAPK1MAPTKMT2A
SCHEMBL13192022 0.74 ALDH1A1 (0.37) ALDH1A1KDM4EPKMMAPK1MAPT
SCHEMBL7212650 0.73 CYP1A2 (0.46) ALDH1A1PKMMAPTNPSR1
SCHEMBL6989242 0.73 CYP1A2 (0.46) ALDH1A1PKMMAPTNPSR1
SCHEMBL6984471 0.71 MAOB (0.41) ALDH1A1KDM4EMAPK1MAPTKMT2A
SCHEMBL6987510 0.71 CYP1A2 (0.56) MAPTKMT2AMEN1MAOBNPSR1

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-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 (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-20160113889-A1 Small Molecule Inhibitors of Dusp6 and Uses Therefor DUSP26, DUSP6, DUSP2 ALDH1A1 1760/4885KDM4E 2719/4885PKM 4238/4885
US-20120122992-A1 SMALL MOLECULE INHIBITORS OF Dusp6 AND USES THEREFOR DUSP26, DUSP6, DUSP2 ALDH1A1 1760/4885KDM4E 2719/4885PKM 4238/4885

“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.