SCHEMBL6763222

SCHEMBL6763222

O=C[C@H](OC(=O)c1cc(O)c(O)c(O)c1)[C@@H](O)[C@H](OC(=O)c1cc(O)c(O)c(O)c1)[C@H](O)COC(=O)c1cc(O)c(O)c(O)c1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 6/20 0.56
PTPN1 P18031 3/20 0.47
PTPN2 P17706 1/20 0.47
PTPN11 Q06124 1/20 0.47
PRKCA P17252 1/20 0.41
ESR1 P03372 2/20 0.39
AKR1C4 P17516 1/20 0.37
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
AKR1C1 Q04828 1/20 0.37
TYR P14679 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL28064168 0.91 SERPINE1 (0.57) SERPINE1PTPN1PTPN2PTPN11PRKCA
SCHEMBL20530411 0.91 SERPINE1 (0.57) SERPINE1PTPN1PTPN2PTPN11PRKCA
SCHEMBL28456939 0.90 SERPINE1 (0.56) SERPINE1PTPN1PTPN2PTPN11PRKCA
SCHEMBL15303745 0.85 SERPINE1 (0.58) SERPINE1PTPN1PTPN2PTPN11PRKCA
SCHEMBL28219841 0.84 SERPINE1 (0.57) SERPINE1PTPN1PTPN2PTPN11PRKCA
SCHEMBL3982817 0.84 SERPINE1 (0.57) SERPINE1PTPN1PTPN2PTPN11PRKCA
SCHEMBL28031026 0.81 SERPINE1 (0.57) SERPINE1PTPN1PTPN2PTPN11ESR1
SCHEMBL391922 0.81 SERPINE1 (0.57) SERPINE1PTPN1PTPN2PTPN11ESR1
Water SCHEMBL23067557 0.80 SERPINE1 (0.56) SERPINE1PTPN1PTPN2PTPN11ESR1
SCHEMBL5664340 0.80 SERPINE1 (0.44) SERPINE1PTPN1PTPN2PTPN11PRKCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110833560-B Application of 2,4, 6-tri-O-galloyl-D-glucose in decocting of Chinese herbal medicines in preparation of antitumor medicines 河南中医药大学 2022-09-16 CN claimed
CN-110833560-A Application of 2,4, 6-tri-O-galloyl-D-glucose in decocting of Chinese herbal medicines in preparation of antitumor medicines 河南中医药大学 2020-02-25 CN claimed
WO-2018216835-A1 COMPOSITION FOR SKIN WHITENING OR FOR PREVENTING AND ALLEVIATING SKIN HYPERPIGMENTATION DISORDER COMPRISING COMPOUND ISOLATED FROM SEDUM TAKESIMENSE AS EFFECTIVE INGREDIENT DYNE SOZE CO., LTD (KR) 2018-11-29 WO claimed
US-20040247698-A1 Erectile Dysfunction Treatment VALENZUELA CORTES CARMEN MARIA (CL) 2004-12-09 US claimed
CN-110833560-B Application of 2,4, 6-tri-O-galloyl-D-glucose in decocting of Chinese herbal medicines in preparation of antitumor medicines 河南中医药大学 2022-09-16 CN disclosed
CN-110833560-B Application of 2,4, 6-tri-O-galloyl-D-glucose in decocting of Chinese herbal medicines in preparation of antitumor medicines 河南中医药大学 2022-09-16 CN disclosed
CN-110833560-B Application of 2,4, 6-tri-O-galloyl-D-glucose in decocting of Chinese herbal medicines in preparation of antitumor medicines 河南中医药大学 2022-09-16 CN disclosed
CN-110833560-A Application of 2,4, 6-tri-O-galloyl-D-glucose in decocting of Chinese herbal medicines in preparation of antitumor medicines 河南中医药大学 2020-02-25 CN disclosed
CN-110833560-A Application of 2,4, 6-tri-O-galloyl-D-glucose in decocting of Chinese herbal medicines in preparation of antitumor medicines 河南中医药大学 2020-02-25 CN disclosed
CN-110833560-A Application of 2,4, 6-tri-O-galloyl-D-glucose in decocting of Chinese herbal medicines in preparation of antitumor medicines 河南中医药大学 2020-02-25 CN disclosed
WO-2018216835-A1 COMPOSITION FOR SKIN WHITENING OR FOR PREVENTING AND ALLEVIATING SKIN HYPERPIGMENTATION DISORDER COMPRISING COMPOUND ISOLATED FROM SEDUM TAKESIMENSE AS EFFECTIVE INGREDIENT DYNE SOZE CO., LTD (KR) 2018-11-29 WO disclosed
WO-2018216835-A1 COMPOSITION FOR SKIN WHITENING OR FOR PREVENTING AND ALLEVIATING SKIN HYPERPIGMENTATION DISORDER COMPRISING COMPOUND ISOLATED FROM SEDUM TAKESIMENSE AS EFFECTIVE INGREDIENT DYNE SOZE CO., LTD (KR) 2018-11-29 WO disclosed
US-20180235904-A1 CANNABIDIOL COMPOSITIONS INCLUDING MIXTURES AND USES THEREOF EARTH SCIENCE TECH, INC. (US) 2018-08-23 US disclosed
CN-106635840-A Aspergillus niger strain, preparation method and application of new component generated by fermenting a plurality of medicines and decocting 河南中医药大学 2017-05-10 CN disclosed
US-20040247698-A1 Erectile Dysfunction Treatment VALENZUELA CORTES CARMEN MARIA (CL) 2004-12-09 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 (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-20180235904-A1 CANNABIDIOL COMPOSITIONS INCLUDING MIXTURES AND USES THEREOF SQLE, RORB, PHKG2 SERPINE1 3574/4885PTPN1 4805/4885PTPN2 4737/4885
US-20040247698-A1 Erectile Dysfunction Treatment PDE3A, PDE3B, PDE12 SERPINE1 921/4885PTPN1 4661/4885PTPN2 4501/4885

“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.