SCHEMBL6563621

SCHEMBL6563621

COc1ccc(-c2oc3cc(O)c(O)c(O)c3c(=O)c2OC)cc1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 5/20 0.86
TUBB P07437 5/20 0.86
TUBA3C P0DPH7 5/20 0.86
TUBA1B P68363 5/20 0.86
TUBA4A P68366 5/20 0.86
TUBB4B P68371 5/20 0.86
TUBB3 Q13509 5/20 0.86
TUBB2A Q13885 5/20 0.86
TUBB8 Q3ZCM7 5/20 0.86
TUBA3E Q6PEY2 5/20 0.86
TUBA1A Q71U36 5/20 0.86
TUBA1C Q9BQE3 5/20 0.86
TUBB6 Q9BUF5 5/20 0.86
TUBB2B Q9BVA1 5/20 0.86
TUBB1 Q9H4B7 5/20 0.86
XDH P47989 2/20 0.86
MAPT P10636 1/20 0.86
PKM P14618 1/20 0.86
CYP3A4 P08684 2/20 0.73
CYP2D6 P10635 2/20 0.73

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
Santin SCHEMBL82415 0.92 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9665640 0.90 MAOA (0.74) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL1683355 0.89 TUBB4A (0.76) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL29598018 0.89 TUBB4A (0.76) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL27685663 0.88 ABCB1 (0.73) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5073336 0.86 ABCG2 (0.84) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4649968 0.86 CYP3A4 (0.88) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL30131217 0.86 CYP3A4 (0.88) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL31142481 0.85 TUBB4A (0.86) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Betuletol SCHEMBL29400938 0.85 TUBB4A (0.86) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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
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
CN-109890376-A Composition is used in PGC-1 α activation 三得利控股株式会社 2019-06-14 CN 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 TUBB4A 2275/4885TUBB 1328/4885TUBA3C 1261/4885
US-12590111-B2 Flavonoid derivative for treating dental caries ITGA8, ICAM1, ITGA2 TUBB4A 2678/4885TUBB 2216/4885TUBA3C 1287/4885
US-20040057908-A1 Oral compositions and use thereof UGGT1, DPM1, B4GALT1 TUBB4A 3536/4885TUBB 2804/4885TUBA3C 3194/4885

“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.