SCHEMBL2761864

SCHEMBL2761864

O=c1cc(O)c2cc(Cl)cc(Br)c2o1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.46
PIM1 P11309 1/20 0.44
SIRT2 Q8IXJ6 2/20 0.43
MAOB P27338 2/20 0.41
MAOA P21397 1/20 0.41
CA12 O43570 3/20 0.40
CA9 Q16790 3/20 0.40
CA1 P00915 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
MCL1 Q07820 2/20 0.38
CSNK2A2 P19784 1/20 0.38
CSNK2B P67870 1/20 0.38
CSNK2A1 P68400 1/20 0.38
F12 P00748 4/20 0.38
NQO1 P15559 1/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36

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
SCHEMBL3087727 0.82 MET (0.49) METPIM1MAOBCA12CA9
SCHEMBL3079553 0.82 PIM1 (0.54) METPIM1MAOBCA12CA9
SCHEMBL23887201 0.79 SIRT2 (0.38) SIRT2MAOBMAOAMCL1F12
SCHEMBL5084867 0.76 PIM1 (0.51) METPIM1MAOBCA12CA9
SCHEMBL31323561 0.74 MET (0.56) METPIM1MAOBMAOACA12
SCHEMBL25603792 0.74 MET (0.56) METPIM1MAOBMAOACA12
SCHEMBL3281348 0.71 MAOB (0.50) MAOBMAOACA12CA9CA1
SCHEMBL27584399 0.69 MCL1 (0.56) SIRT2KDM4EALDH1A1MCL1CSNK2A2
SCHEMBL3075754 0.68 PIM1 (0.64) PIM1MAOACA12CA9CA1
SCHEMBL3583349 0.68 CA12 (0.54) METPIM1CA12CA9CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012135493-A1 POLYMERS AND TASK FUNCTIONALIZED POLYMERS FOR ENHANCED CHANGE DETECTION ENVIRONMENTAL TECHNOLOGY SOLUTIONS (US) 2012-10-04 WO claimed
US-8324405-B2 Chromene derivatives and use thereof as HIF hydroxylase activity inhibitors FIBROGEN, INC. (US) 2012-12-04 US disclosed
WO-2012135493-A1 POLYMERS AND TASK FUNCTIONALIZED POLYMERS FOR ENHANCED CHANGE DETECTION ENVIRONMENTAL TECHNOLOGY SOLUTIONS (US) 2012-10-04 WO disclosed
US-20100331400-A1 CHROMENE DERIVATIVES AND USE THEREOF AS HIF HYDROXYLASE ACTIVITY INHIBITORS FIBROGEN, INC. 2010-12-30 US disclosed
WO-2009100250-A1 CHROMENE DERIVATIVES AND USE THEREOF AS HIF HYDROXYLASE ACTIVITY INHIBITORS FIBROGEN, INC. (US) 2009-08-13 WO disclosed
WO-2007115181-A9 COMPOUNDS EXHIBITING EFFLUX INHIBITOR ACTIVITY AND COMPOSITIONS AND USES THEREOF EASTMAN CHEM CO (US) 2008-04-03 WO disclosed
US-20070254859-A1 Compounds exhibiting efflux inhibitor activity and composition and uses thereof EASTMAN CHEMICAL COMPANY 2007-11-01 US disclosed
WO-2007115181-A2 COMPOUNDS EXHIBITING EFFLUX INHIBITOR ACTIVITY AND COMPOSITIONS AND USES THEREOF EASTMAN CHEMICAL COMPANY (US) 2007-10-11 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-20070254859-A1 Compounds exhibiting efflux inhibitor activity and composition and uses thereof ABCC4, NCOA4, NR4A3 MET 2096/4885PIM1 4635/4885SIRT2 1591/4885
US-20100331400-A1 CHROMENE DERIVATIVES AND USE THEREOF AS HIF HYDROXYLASE ACTIVITY INHIBITORS HIF1AN, HIF1A, EGLN2 MET 1167/4885PIM1 762/4885SIRT2 615/4885

“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.