Esculetin

Esculetin

SCHEMBL1707171

O=c1ccc2cc(O)c(O)cc2o1.OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O.OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O.OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O.OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O.OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O.OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O

nearest known ligand 0.69

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.69
HPGD P15428 7/20 0.69
KDM4E B2RXH2 6/20 0.69
CASP1 P29466 6/20 0.69
CASP7 P55210 6/20 0.69
HSD17B10 Q99714 6/20 0.69
GAA P10253 5/20 0.69
GLA P06280 4/20 0.69
MEN1 O00255 3/20 0.69
KMT2A Q03164 3/20 0.69
AMY1A P0DUB6 2/20 0.69
CYP2C19 P33261 1/20 0.69
STAT6 P42226 1/20 0.69
ERAP1 Q9NZ08 5/20 0.67
CA9 Q16790 7/20 0.60
CA12 O43570 5/20 0.60
AKR1B1 P15121 3/20 0.60
MCL1 Q07820 3/20 0.60
ACHE P22303 2/20 0.60
CYP1A2 P05177 2/20 0.60

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
Esculetin SCHEMBL165749 1.00 ALDH1A1 (0.69) ALDH1A1HPGDKDM4ECASP1CASP7
Esculin SCHEMBL8155952 0.85 ALDH1A1 (0.96) ALDH1A1HPGDKDM4ECASP1CASP7
SCHEMBL11111897 0.84 ALDH1A1 (0.65) ALDH1A1HPGDKDM4ECASP1CASP7
SCHEMBL13784420 0.83 ALDH1A1 (0.93) ALDH1A1HPGDKDM4ECASP1CASP7
SCHEMBL1536006 0.83 ALDH1A1 (0.93) ALDH1A1HPGDKDM4ECASP1CASP7
SCHEMBL7762578 0.83 ALDH1A1 (0.93) ALDH1A1HPGDKDM4ECASP1CASP7
SCHEMBL29398048 0.83 ALDH1A1 (0.93) ALDH1A1HPGDKDM4ECASP1CASP7
Esculin SCHEMBL13096298 0.82 ALDH1A1 (1.00) ALDH1A1HPGDKDM4ECASP1CASP7
Esculin SCHEMBL2893 0.82 ALDH1A1 (1.00) ALDH1A1HPGDKDM4ECASP1CASP7
Esculin SCHEMBL8035285 0.82 ALDH1A1 (1.00) ALDH1A1HPGDKDM4ECASP1CASP7

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-9828407-B2 Water soluble and activable phenolic derivatives with dermocosmetic and therapeutic applications and process for preparing said derivatives LIBRAGEN (FR) 2017-11-28 US disclosed
US-20140088030-A1 WATER SOLUBLE AND ACTIVABLE PHENOLICS DERIVATIVES WITH DERMOCOSMETIC AND THERAPEUTIC APPLICATIONS AND PROCESS FOR PREPARING SAID DERIVATIVES LIBRAGEN (FR) 2014-03-27 US disclosed
EP-2027279-B1 Phenolic compounds with cosmetic and therapeutic applications LIBRAGEN (FR) 2012-04-18 EP disclosed
US-20090233876-A1 Water Soluble and Activable Phenolics Derivatives with Dermocosmetic and Therapeutic Applications and Process for Preparing Said Derivatives LIBRAGEN (FR) 2009-09-17 US disclosed
EP-1867729-A1 Water soluble phenolics derivatives with dermocosmetic and therapeutic applications Libragen (FR) 2007-12-19 EP 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-20090233876-A1 Water Soluble and Activable Phenolics Derivatives with Dermocosmetic and Therapeutic Applications and Process for Preparing Said Derivatives UGGT1, TYR, LCT ALDH1A1 1189/4885HPGD 452/4885KDM4E 1025/4885
US-20140088030-A1 WATER SOLUBLE AND ACTIVABLE PHENOLICS DERIVATIVES WITH DERMOCOSMETIC AND THERAPEUTIC APPLICATIONS AND PROCESS FOR PREPARING SAID DERIVATIVES UGGT1, TYR, G6PD ALDH1A1 1534/4885HPGD 397/4885KDM4E 949/4885

“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.