SCHEMBL23012504

SCHEMBL23012504

O=c1cc(-c2ccc(OCCCCCCCCCCC(P(=O)(O)O)P(=O)(O)O)cc2)oc2cc(O)cc(O)c12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 7/20 0.69
▸ ABCB1 P08183 3/20 0.67
▸ QPCT Q16769 2/20 0.62
▸ MAOB P27338 4/20 0.57
▸ MAOA P21397 3/20 0.57
▸ MEN1 O00255 2/20 0.57
▸ NPC1 O15118 2/20 0.57
▸ USP2 O75604 2/20 0.57
▸ ALDH1A1 P00352 2/20 0.57
▸ LMNA P02545 2/20 0.57
▸ TP53 P04637 2/20 0.57
▸ CYP1A1 P04798 2/20 0.57
▸ CYP1A2 P05177 2/20 0.57
▸ CYP3A4 P08684 2/20 0.57
▸ CYP2D6 P10635 2/20 0.57
▸ MAPT P10636 2/20 0.57
▸ CYP2C9 P11712 2/20 0.57
▸ MAPK1 P28482 2/20 0.57
▸ CYP2C19 P33261 2/20 0.57
▸ FLT3 P36888 2/20 0.57

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
SCHEMBL23023220 0.92 XDH (0.57) XDHABCB1MAOBMAOAMEN1
SCHEMBL29638011 0.92 XDH (0.57) XDHABCB1MAOBMAOAMEN1
SCHEMBL29637971 0.90 ABCB1 (0.80) XDHABCB1QPCTMAOBMAOA
SCHEMBL1421453 0.84 XDH (0.78) XDHABCB1QPCTMAOBMAOA
SCHEMBL4152555 0.84 ABCB1 (0.93) XDHABCB1QPCTMAOBMAOA
SCHEMBL29824440 0.82 ABCB1 (0.67) XDHABCB1QPCTMAOBMAOA
SCHEMBL4152249 0.81 ABCB1 (1.00) XDHABCB1QPCTMAOBMAOA
SCHEMBL4156208 0.81 ABCB1 (1.00) XDHABCB1QPCTMAOBMAOA
SCHEMBL4156163 0.81 ABCB1 (1.00) XDHABCB1QPCTMAOBMAOA
SCHEMBL4155808 0.81 ABCB1 (1.00) XDHABCB1QPCTMAOBMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20220281903-A1 FLAVONOID DERIVATIVE FOR TREATING DENTAL CARIES ITGA8, ITGAL, ITGB2 XDH 2106/4885ABCB1 1658/4885QPCT 331/4885
US-12590111-B2 Flavonoid derivative for treating dental caries ITGA8, ICAM1, ITGA2 XDH 1239/4885ABCB1 3001/4885QPCT 84/4885

“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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