SCHEMBL8975217

SCHEMBL8975217

COc1cc(-c2[o+]c3cc(O)cc(O)c3cc2O[C@@H]2OC(CO)[C@@H](O)C(O)C2O)ccc1O

nearest known ligand 0.82

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CD38 P28907 3/20 0.82
DPP4 P27487 1/20 0.82
F2 P00734 1/20 0.73
EPHX2 P34913 3/20 0.56
KDM4E B2RXH2 1/20 0.52
POLB P06746 1/20 0.52
GAA P10253 1/20 0.52
RECQL P46063 1/20 0.52
ALDH1A1 P00352 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TYR P14679 1/20 0.49
MMP9 P14780 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
DYRK1A Q13627 1/20 0.47
SLC28A3 Q9HAS3 1/20 0.47
ACHE P22303 1/20 0.46

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
SCHEMBL29389947 1.00 CD38 (0.82) CD38DPP4F2EPHX2KDM4E
SCHEMBL29714132 1.00 CD38 (0.82) CD38DPP4F2EPHX2KDM4E
SCHEMBL29816458 1.00 CD38 (0.82) CD38DPP4F2EPHX2KDM4E
Hydrochloric Acid SCHEMBL31420442 0.99 CD38 (0.81) CD38DPP4F2EPHX2KDM4E
Hydrochloric Acid SCHEMBL31389336 0.99 CD38 (0.81) CD38DPP4F2EPHX2KDM4E
SCHEMBL31269727 0.99 CD38 (0.81) CD38DPP4F2EPHX2KDM4E
SCHEMBL317322 0.94 F2 (0.82) CD38DPP4F2EPHX2KDM4E
SCHEMBL29530365 0.94 F2 (0.82) CD38DPP4F2EPHX2KDM4E
SCHEMBL31090366 0.94 CD38 (0.89) CD38DPP4F2EPHX2KDM4E
SCHEMBL30217589 0.93 CD38 (0.82) CD38DPP4F2EPHX2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2976061-B1 COMBINATIONS OF N-ACETYL CYSTEINE DERIVATIVES AND CRANBERRY POLYPHENOLS IN COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING PERIODONTAL DISEASES AND PERI-IMPLATITIS DENTALMED PHARM HOLDING LTD (BE) 2019-10-16 EP claimed
US-20160279043-A1 COMBINATIONS OF N-ACETYL CYSTEINE DERIVATIVES AND CRANBERRY POLYPHENOLS IN COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING PERIODONTAL DISEASES AND PERI-IMPLATITIS DENTALMED PHARM HOLDING LTD. (BE) 2016-09-29 US claimed
EP-2976061-A1 COMBINATIONS OF N-ACETYL CYSTEINE DERIVATIVES AND CRANBERRY POLYPHENOLS IN COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING PERIODONTAL DISEASES AND PERI-IMPLATITIS Dentalmed Pharm Holding Ltd. (BE) 2016-01-27 EP claimed
WO-2014147613-A1 COMBINATIONS OF N-ACETYL CYSTEINE DERIVATIVES AND CRANBERRY POLYPHENOLS IN COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING PERIODONTAL DISEASES AND PERI-IMPLATITIS DENTALMED PHARM HOLDING LTD. (BE) 2014-09-25 WO claimed
EP-0496349-B1 Coating solution for preventing adhesion of polymer scale and method for its use SHINETSU CHEMICAL CO (JP) 1996-04-10 EP claimed
EP-0496349-A1 Coating solution for preventing adhesion of polymer scale and method for its use SHIN-ETSU CHEMICAL CO., LTD. (JP) 1992-07-29 EP claimed
EP-2976061-B1 COMBINATIONS OF N-ACETYL CYSTEINE DERIVATIVES AND CRANBERRY POLYPHENOLS IN COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING PERIODONTAL DISEASES AND PERI-IMPLATITIS DENTALMED PHARM HOLDING LTD (BE) 2019-10-16 EP disclosed
US-20190216704-A1 COMBINATIONS OF N-ACETYL CYSTEINE DERIVATIVES AND CRANBERRY POLYPHENOLS IN COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING PERIODONTAL DISEASES AND PERI-IMPLATITIS DENTALMED PHARM HOLDING LTD. (BE) 2019-07-18 US disclosed
US-20160279043-A1 COMBINATIONS OF N-ACETYL CYSTEINE DERIVATIVES AND CRANBERRY POLYPHENOLS IN COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING PERIODONTAL DISEASES AND PERI-IMPLATITIS DENTALMED PHARM HOLDING LTD. (BE) 2016-09-29 US disclosed
EP-2976061-A1 COMBINATIONS OF N-ACETYL CYSTEINE DERIVATIVES AND CRANBERRY POLYPHENOLS IN COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING PERIODONTAL DISEASES AND PERI-IMPLATITIS Dentalmed Pharm Holding Ltd. (BE) 2016-01-27 EP disclosed
WO-2014147613-A1 COMBINATIONS OF N-ACETYL CYSTEINE DERIVATIVES AND CRANBERRY POLYPHENOLS IN COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING PERIODONTAL DISEASES AND PERI-IMPLATITIS DENTALMED PHARM HOLDING LTD. (BE) 2014-09-25 WO disclosed
EP-0496349-B1 Coating solution for preventing adhesion of polymer scale and method for its use SHINETSU CHEMICAL CO (JP) 1996-04-10 EP disclosed
US-5241022-A Polyvinyl alcohol with saponification of not less than seventy percent and quinone SHIN-ETSU CHEMICAL CO., LTD. (JP) 1993-08-31 US disclosed
EP-0496349-A1 Coating solution for preventing adhesion of polymer scale and method for its use SHIN-ETSU CHEMICAL CO., LTD. (JP) 1992-07-29 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-20190216704-A1 COMBINATIONS OF N-ACETYL CYSTEINE DERIVATIVES AND CRANBERRY POLYPHENOLS IN COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING PERIODONTAL DISEASES AND PERI-IMPLATITIS SIRT3, NNT, SIRT1 CD38 253/4885DPP4 866/4885F2 752/4885
US-20160279043-A1 COMBINATIONS OF N-ACETYL CYSTEINE DERIVATIVES AND CRANBERRY POLYPHENOLS IN COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING PERIODONTAL DISEASES AND PERI-IMPLATITIS SIRT3, NNT, SIRT1 CD38 253/4885DPP4 866/4885F2 752/4885

“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.