SCHEMBL13713834

SCHEMBL13713834

COc1cc2oc(=O)cc(CC(NC(=O)CN)C(=O)O)c2cc1OC

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ POLB P06746 2/20 0.46
▸ GAA P10253 5/20 0.44
▸ CTDSP1 Q9GZU7 1/20 0.44
▸ KDM4E B2RXH2 4/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ HPGD P15428 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ PI4K2A Q9BTU6 1/20 0.41
▸ HTT P42858 1/20 0.40
▸ LCK P06239 1/20 0.40

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
SCHEMBL13741165 0.85 MEN1 (0.45) MEN1KMT2APOLBGAACTDSP1
SCHEMBL13713840 0.85 MEN1 (0.47) MEN1KMT2APOLBGAACTDSP1
SCHEMBL14473923 0.82 KDM4E (0.49) MEN1KMT2APOLBGAAKDM4E
SCHEMBL20281019 0.77 KDM4E (0.46) MEN1KMT2APOLBGAAKDM4E
Trifluoroacetic Acid SCHEMBL5622861 0.76 KDM4E (0.44) KDM4EALDH1A1HSD17B10HPGDMAPK1
Trifluoroacetic Acid SCHEMBL5622863 0.76 KDM4E (0.44) KDM4EALDH1A1HSD17B10HPGDMAPK1
SCHEMBL869935 0.74 KDM4E (0.67) GAAKDM4EALDH1A1HSD17B10HPGD
SCHEMBL15539797 0.74 CTSS (0.43) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL5429225 0.73 KDM4E (0.67) GAAKDM4EALDH1A1HSD17B10HPGD
SCHEMBL12919918 0.72 MCL1 (0.61) MEN1KMT2AGAAKDM4EALDH1A1

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-8357506-B2 Method of identifying improved conjugates of biologically active compounds BURNET MICHAEL (DE) 2013-01-22 — — US disclosed
US-8357506-B2 Method of identifying improved conjugates of biologically active compounds BURNET MICHAEL (DE) 2013-01-22 — — US disclosed
US-7579324-B2 Conjugates of biologically active compounds, methods for their preparation and use, formulation and pharmaceutical applications thereof C-A-I-R BIOSCIENCES GMBH (DE) 2009-08-25 — — US disclosed
US-20090093014-A1 Conjugates of biologically active compounds, methods for their preparation and use, formulation and pharmaceutical applications thereof Burnet, Dr. Michael (DE) 2009-04-09 — — US disclosed
US-20080145343-A1 Conjugates of biologically active compounds, methods for their preparation and use, formulation and pharmaceutical applications thereof BURNET, MICHAEL (DE) 2008-06-19 — — US disclosed
US-20080145343-A1 Conjugates of biologically active compounds, methods for their preparation and use, formulation and pharmaceutical applications thereof BURNET, MICHAEL (DE) 2008-06-19 — — 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 (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-20080145343-A1 Conjugates of biologically active compounds, methods for their preparation and use, formulation and pharmaceutical applications thereof CD47, CD14, CD4 MEN1 2861/4885KMT2A 3242/4885POLB 3431/4885

“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.

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