SCHEMBL6565634

SCHEMBL6565634

COc1ccc(C2(O)Oc3cc(O)cc(O)c3CC2O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
POLB P06746 3/20 0.43
RECQL P46063 2/20 0.43
CYP1A1 P04798 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP1B1 Q16678 1/20 0.42
PTGS1 P23219 4/20 0.41
MAPK14 Q16539 1/20 0.41
CYP19A1 P11511 1/20 0.41
EIF4A1 P60842 1/20 0.39
CHRNA1 P02708 1/20 0.39
CHRNG P07510 1/20 0.39
CHRNB1 P11230 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
CHRND Q07001 1/20 0.39
MEN1 O00255 3/20 0.38
MAPT P10636 2/20 0.38

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
SCHEMBL2967632 0.74 GABRA1 (0.43) KMT2APOLBCHRNA1CHRNGCHRNB1
SCHEMBL540756 0.73 PTGS2 (0.47) KMT2APOLBRECQLPTGS1MAPK14
SCHEMBL14392073 0.71 BACE1 (0.46) KMT2APOLBRECQLPTGS1MEN1
SCHEMBL6262620 0.71 BACE1 (0.46) KMT2APOLBRECQLPTGS1MEN1
SCHEMBL4728425 0.71 BACE1 (0.46) KMT2APOLBRECQLPTGS1MEN1
SCHEMBL809418 0.71 BACE1 (0.43) KMT2APOLBRECQLPTGS1MAPK14
SCHEMBL6864756 0.70 HIF1A (0.47) KMT2ACYP19A1CHRNA1CHRNGCHRNB1
SCHEMBL10307408 0.70 PTGS1 (0.76) KMT2APOLBRECQLPTGS1MAPK14
SCHEMBL6262786 0.68 BACE1 (0.46) KMT2APOLBRECQLPTGS1MEN1
SCHEMBL20169853 0.68 BACE1 (0.46) KMT2APOLBRECQLPTGS1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220281903-A1 FLAVONOID DERIVATIVE FOR TREATING DENTAL CARIES MÜHLBAUER TECHNOLOGY GMBH (DE) 2022-09-08 US claimed
EP-4017585-A1 FLAVONOID DERIVATIVE FOR TREATING DENTAL CARIES Mühlbauer Technology GmbH (DE) 2022-06-29 EP claimed
WO-2021032844-A1 FLAVONOID DERIVATIVE FOR TREATING DENTAL CARIES MÜHLBAUER TECHNOLOGY GMBH (DE) 2021-02-25 WO claimed
US-20040057908-A1 Oral compositions and use thereof NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2004-03-25 US claimed
EP-1399119-A2 ORAL COMPOSITIONS AND USE THEREOF University of Rochester (US) 2004-03-24 EP claimed
WO-2002047615-A2 ORAL COMPOSITIONS AND USE THEREOF UNIVERSITY OF ROCHESTER (US) 2002-06-20 WO claimed
US-12590111-B2 Flavonoid derivative for treating dental caries MÜHLBAUER TECHNOLOGY GMBH (DE) 2026-03-31 US disclosed
US-20220281903-A1 FLAVONOID DERIVATIVE FOR TREATING DENTAL CARIES MÜHLBAUER TECHNOLOGY GMBH (DE) 2022-09-08 US disclosed
EP-4017585-A1 FLAVONOID DERIVATIVE FOR TREATING DENTAL CARIES Mühlbauer Technology GmbH (DE) 2022-06-29 EP disclosed
WO-2021032844-A1 FLAVONOID DERIVATIVE FOR TREATING DENTAL CARIES MÜHLBAUER TECHNOLOGY GMBH (DE) 2021-02-25 WO disclosed
US-20040057908-A1 Oral compositions and use thereof NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2004-03-25 US disclosed
EP-1399119-A2 ORAL COMPOSITIONS AND USE THEREOF University of Rochester (US) 2004-03-24 EP disclosed
WO-2002047615-A2 ORAL COMPOSITIONS AND USE THEREOF UNIVERSITY OF ROCHESTER (US) 2002-06-20 WO 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 (3 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-20220281903-A1 FLAVONOID DERIVATIVE FOR TREATING DENTAL CARIES ITGA8, ITGAL, ITGB2 KMT2A 562/4885POLB 3702/4885RECQL 2490/4885
US-12590111-B2 Flavonoid derivative for treating dental caries ITGA8, ICAM1, ITGA2 KMT2A 879/4885POLB 2441/4885RECQL 597/4885
US-20040057908-A1 Oral compositions and use thereof UGGT1, DPM1, B4GALT1 KMT2A 2378/4885POLB 3454/4885RECQL 3174/4885

“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.