SCHEMBL6565198

SCHEMBL6565198

COc1cc(O)cc2c1C(=O)C(O)C(c1ccccc1)O2

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.60
▸ XDH P47989 3/20 0.59
▸ CYP3A4 P08684 4/20 0.53
▸ ALOX15 P16050 4/20 0.53
▸ MAPT P10636 3/20 0.53
▸ HSD17B10 Q99714 3/20 0.53
▸ RECQL P46063 2/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ KDM4E B2RXH2 2/20 0.53
▸ GAA P10253 2/20 0.53
▸ ALOX12 P18054 2/20 0.53
▸ HIF1A Q16665 2/20 0.53
▸ SOST Q9BQB4 2/20 0.53
▸ POLB P06746 1/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ NFKB1 P19838 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ CYP2C9 P11712 4/20 0.53
▸ SLCO1B3 Q9NPD5 3/20 0.53

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
SCHEMBL13750522 0.92 ALDH1A1 (0.63) ALDH1A1XDHCYP3A4ALOX15MAPT
SCHEMBL28024600 0.88 ALDH1A1 (0.78) ALDH1A1XDHCYP3A4ALOX15MAPT
SCHEMBL28545861 0.87 ALDH1A1 (0.78) ALDH1A1XDHCYP3A4HSD17B10MEN1
SCHEMBL16887994 0.86 XDH (0.73) ALDH1A1XDHCYP3A4ALOX15MAPT
SCHEMBL28460634 0.86 CYP2C9 (0.68) ALDH1A1XDHCYP3A4ALOX15MAPT
SCHEMBL10335311 0.85 XDH (0.67) ALDH1A1XDHCYP3A4ALOX15MAPT
Pinobaksin SCHEMBL14461145 0.82 MAPT (0.75) ALDH1A1XDHCYP3A4ALOX15MAPT
Pinobaksin SCHEMBL1045054 0.82 MAPT (0.75) ALDH1A1XDHCYP3A4ALOX15MAPT
SCHEMBL17485808 0.82 XDH (0.62) ALDH1A1XDHCYP3A4ALOX15MAPT
SCHEMBL6565172 0.80 SMN1; SMN2 (0.45) ALDH1A1XDHCYP3A4MAPTRECQL

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 ALDH1A1 1248/4885XDH 2106/4885CYP3A4 1785/4885
US-12590111-B2 Flavonoid derivative for treating dental caries ITGA8, ICAM1, ITGA2 ALDH1A1 1402/4885XDH 1239/4885CYP3A4 3196/4885
US-20040057908-A1 Oral compositions and use thereof UGGT1, DPM1, B4GALT1 ALDH1A1 1646/4885XDH 476/4885CYP3A4 269/4885

“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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