SCHEMBL6565172

SCHEMBL6565172

COc1cc(O)cc2c1O[C@@H](c1ccccc1)C(O)C2=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.45
▸ MEN1 O00255 4/20 0.45
▸ KMT2A Q03164 4/20 0.45
▸ KDM4E B2RXH2 3/20 0.45
▸ CYP2C19 P33261 3/20 0.45
▸ HTT P42858 2/20 0.45
▸ CYP3A4 P08684 2/20 0.45
▸ CYP2D6 P10635 2/20 0.45
▸ HIF1A Q16665 2/20 0.45
▸ POLB P06746 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ NFKB1 P19838 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ NFKB2 Q00653 1/20 0.45
▸ RELA Q04206 1/20 0.45
▸ MAPT P10636 3/20 0.43
▸ HPGD P15428 2/20 0.43
▸ AGTR1 P30556 2/20 0.43
▸ LMNA P02545 2/20 0.43

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
SCHEMBL6565198 0.80 ALDH1A1 (0.60) MEN1KMT2AKDM4ECYP2C19CYP3A4
SCHEMBL3364494 0.77 MEN1 (0.65) MEN1KMT2AKDM4ECYP2C19CYP3A4
SCHEMBL13750522 0.72 ALDH1A1 (0.63) MEN1KMT2AKDM4ECYP2C19HTT
SCHEMBL2398445 0.70 ESR2 (0.62) MEN1KMT2AKDM4ECYP2C19CYP3A4
SCHEMBL28180041 0.70 ESR2 (0.62) MEN1KMT2AKDM4ECYP2C19CYP3A4
SCHEMBL17485808 0.69 XDH (0.62) SMN1; SMN2MEN1KMT2AKDM4ECYP2C19
SCHEMBL3368230 0.69 CYP19A1 (0.59) MEN1KMT2ACYP3A4POLBALDH1A1
SCHEMBL28545861 0.69 ALDH1A1 (0.78) SMN1; SMN2MEN1KMT2AKDM4ECYP2C19
SCHEMBL28024600 0.68 ALDH1A1 (0.78) MEN1KMT2AKDM4ECYP2C19CYP3A4
SCHEMBL13111972 0.67 PDPK1 (0.51) MEN1KMT2AKDM4ECYP2C19CYP3A4

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 SMN1; SMN2 4759/4885MEN1 4511/4885KMT2A 562/4885
US-12590111-B2 Flavonoid derivative for treating dental caries ITGA8, ICAM1, ITGA2 SMN1; SMN2 4851/4885MEN1 4877/4885KMT2A 879/4885
US-20040057908-A1 Oral compositions and use thereof UGGT1, DPM1, B4GALT1 SMN1; SMN2 4875/4885MEN1 4615/4885KMT2A 2378/4885

“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.

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