SCHEMBL14907128

SCHEMBL14907128

C=CCOc1ccc(C(=O)O)cc1OC

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.74
TSHR P16473 3/20 0.68
CA12 O43570 1/20 0.65
CA1 P00915 1/20 0.65
CA2 P00918 1/20 0.65
CA4 P22748 1/20 0.65
CA6 P23280 1/20 0.65
CA7 P43166 1/20 0.65
TPMT P51580 1/20 0.65
CA9 Q16790 1/20 0.65
CA14 Q9ULX7 1/20 0.65
MAPT P10636 1/20 0.58
HTT P42858 4/20 0.57
MRGPRX4 Q96LA9 1/20 0.57
PDE4B Q07343 1/20 0.54
TTR P02766 1/20 0.54
RAB9A P51151 2/20 0.51
LMNA P02545 1/20 0.51
MAPK1 P28482 1/20 0.51
GAA P10253 1/20 0.51

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
SCHEMBL31737057 1.00 KDM4E (0.74) KDM4ETSHRCA12CA1CA2
SCHEMBL3314219 0.94 KDM4E (0.66) KDM4ETSHRCA12CA1CA2
SCHEMBL15312851 0.91 KDM4E (0.60) KDM4ETSHRCA12CA1CA2
SCHEMBL9305217 0.88 KDM4E (0.74) KDM4ETSHRPDE4BMAPK1GAA
SCHEMBL29537569 0.88 KDM4E (0.74) KDM4ETSHRPDE4BMAPK1GAA
SCHEMBL3547607 0.87 KDM4E (0.72) KDM4ETSHRMAPTPDE4BRAB9A
SCHEMBL1067955 0.87 KDM4E (0.72) KDM4ETSHRCA12CA1CA2
SCHEMBL680755 0.85 KDM4E (0.71) KDM4ETSHRMAPTPDE4BMAPK1
SCHEMBL31737297 0.85 KDM4E (0.71) KDM4ETSHRMAPTPDE4BMAPK1
SCHEMBL28326914 0.85 KDM4E (1.00) KDM4ETSHRMAPTPDE4BRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9873661-B2 Small molecule malarial Aldolase-TRAP enhancers and glideosome inhibitors NEW YORK UNIVERSITY (US) 2018-01-23 US disclosed
US-9873661-B2 Small molecule malarial Aldolase-TRAP enhancers and glideosome inhibitors NEW YORK UNIVERSITY (US) 2018-01-23 US disclosed
US-20140275088-A1 SMALL MOLECULE MALARIAL ALDOLASE-TRAP ENHANCERS AND GLIDEOSOME INHIBITORS THE JOHNS HOPKINS UNIVERSITY 2014-09-18 US disclosed
US-20140275088-A1 SMALL MOLECULE MALARIAL ALDOLASE-TRAP ENHANCERS AND GLIDEOSOME INHIBITORS THE JOHNS HOPKINS UNIVERSITY 2014-09-18 US disclosed
WO-2013063243-A1 SMALL MOLECULE MALARIAL ALDOLASE-TRAP ENHANCERS AND GLIDEOSOME INHIBITORS NEW YORK UNIVERSITY (US) 2013-05-02 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-20140275088-A1 SMALL MOLECULE MALARIAL ALDOLASE-TRAP ENHANCERS AND GLIDEOSOME INHIBITORS ALDOA, DERA, TALDO1 KDM4E 283/4885TSHR 4628/4885CA12 4808/4885

“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.