SCHEMBL2542993

SCHEMBL2542993

COc1ccc(C(=O)NN=Cc2ccc(O)c(OC)c2)cc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.80
KDM4E B2RXH2 3/20 0.80
MIF P14174 1/20 0.76
MPO P05164 1/20 0.76
NT5E P21589 1/20 0.76
KMT2A Q03164 5/20 0.75
MEN1 O00255 4/20 0.75
MAPT P10636 2/20 0.75
SMN1; SMN2 Q16637 2/20 0.75
PKM P14618 1/20 0.75
HPGD P15428 1/20 0.75
ALOX12 P18054 1/20 0.75
NPSR1 Q6W5P4 1/20 0.75
CA12 O43570 1/20 0.75
CA1 P00915 1/20 0.75
CA2 P00918 1/20 0.75
CA9 Q16790 1/20 0.75
POLB P06746 4/20 0.72
ALDH1A1 P00352 1/20 0.72
GCGR P47871 4/20 0.69

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
SCHEMBL28515502 0.91 GAA (0.81) GAAKDM4EMPONT5EKMT2A
SCHEMBL28515978 0.91 GAA (0.81) GAAKDM4EMPONT5EKMT2A
SCHEMBL18642552 0.90 GAA (0.80) GAAKDM4EMPONT5EKMT2A
SCHEMBL18642551 0.90 GAA (0.80) GAAKDM4EMPONT5EKMT2A
SCHEMBL11157751 0.89 GAA (1.00) GAAKDM4EMPONT5EKMT2A
SCHEMBL28521274 0.89 GAA (0.77) GAAKDM4EMPONT5EKMT2A
SCHEMBL12937858 0.87 GCGR (0.87) GAAKDM4EMPONT5EKMT2A
SCHEMBL28521566 0.87 GAA (0.75) GAAKDM4EMPONT5EKMT2A
Ftivazide SCHEMBL436184 0.86 GAA (1.00) GAAKDM4EMPONT5EKMT2A
SCHEMBL28520360 0.86 GAA (0.77) GAAKDM4EMPONT5EKMT2A

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-9085550-B2 Ligands for estrogen related receptors and methods for synthesis of said ligands CITY OF HOPE (US) 2015-07-21 US disclosed
US-20130131340-A1 LIGANDS FOR ESTROGEN RELATED RECEPTORS AND METHODS FOR SYNTHESIS OF SAID LIGANDS FORMAN BARRY (US) 2013-05-23 US disclosed
US-8044241-B2 Ligands for estrogen related receptors and methods for synthesis of said ligands CITY OF HOPE (US) 2011-10-25 US disclosed
US-20090318693-A1 LIGANDS FOR ESTROGEN RELATED RECEPTORS AND METHODS FOR SYNTHESIS OF SAID LIGANDS FORMAN BARRY 2009-12-24 US disclosed
US-7544838-B2 Ligands for estrogen related receptors and methods for synthesis of said ligands CITY OF HOPE (US) 2009-06-09 US disclosed
US-20060189825-A1 Ligands for estrogen related receptors and methods for synthesis of said ligands CITY OF HOPE 2006-08-24 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-20130131340-A1 LIGANDS FOR ESTROGEN RELATED RECEPTORS AND METHODS FOR SYNTHESIS OF SAID LIGANDS ESRRA, ESRRB, ESR2 GAA 4062/4885KDM4E 773/4885MIF 4143/4885
US-20060189825-A1 Ligands for estrogen related receptors and methods for synthesis of said ligands ESRRA, ESRRB, ESR2 GAA 4062/4885KDM4E 773/4885MIF 4143/4885
US-20090318693-A1 LIGANDS FOR ESTROGEN RELATED RECEPTORS AND METHODS FOR SYNTHESIS OF SAID LIGANDS ESRRA, ESRRB, ESR2 GAA 4062/4885KDM4E 773/4885MIF 4143/4885

“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.