Esculin

Esculin

SCHEMBL13713835

O=c1ccc2cc(O[C@@H]3O[C@H](CO)C(O)[C@H](O)C3O)c(O)cc2o1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 1.00
HPGD P15428 6/20 1.00
HSD17B10 Q99714 6/20 1.00
KDM4E B2RXH2 5/20 1.00
CASP1 P29466 5/20 1.00
CASP7 P55210 5/20 1.00
GAA P10253 5/20 1.00
MEN1 O00255 4/20 1.00
KMT2A Q03164 4/20 1.00
GLA P06280 3/20 1.00
AMY1A P0DUB6 2/20 1.00
CYP2C19 P33261 1/20 1.00
STAT6 P42226 1/20 1.00
ERAP1 Q9NZ08 4/20 0.98
CA12 O43570 6/20 0.78
CA9 Q16790 6/20 0.78
CA1 P00915 5/20 0.78
CA7 P43166 3/20 0.78
CA13 Q8N1Q1 3/20 0.78
L3MBTL1 Q9Y468 2/20 0.61

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
Esculin SCHEMBL2894 1.00 ALDH1A1 (1.00) ALDH1A1HPGDHSD17B10KDM4ECASP1
Esculin SCHEMBL1706315 1.00 ALDH1A1 (1.00) ALDH1A1HPGDHSD17B10KDM4ECASP1
Esculin SCHEMBL7537406 1.00 ALDH1A1 (1.00) ALDH1A1HPGDHSD17B10KDM4ECASP1
Esculin SCHEMBL8035285 1.00 ALDH1A1 (1.00) ALDH1A1HPGDHSD17B10KDM4ECASP1
Esculin SCHEMBL29350403 1.00 ALDH1A1 (1.00) ALDH1A1HPGDHSD17B10KDM4ECASP1
Esculin SCHEMBL8183298 1.00 ALDH1A1 (1.00) ALDH1A1HPGDHSD17B10KDM4ECASP1
Esculin SCHEMBL13096298 1.00 ALDH1A1 (1.00) ALDH1A1HPGDHSD17B10KDM4ECASP1
Esculin SCHEMBL19756246 1.00 ALDH1A1 (1.00) ALDH1A1HPGDHSD17B10KDM4ECASP1
Esculin SCHEMBL20179973 1.00 ALDH1A1 (1.00) ALDH1A1HPGDHSD17B10KDM4ECASP1
Esculin SCHEMBL2893 1.00 ALDH1A1 (1.00) ALDH1A1HPGDHSD17B10KDM4ECASP1

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
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-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-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 ALDH1A1 1020/4885HPGD 602/4885HSD17B10 2505/4885

“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.