SCHEMBL3698502

SCHEMBL3698502

O=C1C(O)(O)c2c(O)cccc2OC1(O)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
MMP2 P08253 1/20 0.33
DBH P09172 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
AURKA O14965 1/20 0.32
USP2 O75604 1/20 0.32
TRPA1 O75762 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
P4HB P07237 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
TOP1 P11387 1/20 0.32
PDIA4 P13667 1/20 0.32
IDO1 P14902 1/20 0.32

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
SCHEMBL27441451 0.81 PLK1 (0.35) CA1CA2CA7CA9KDM4E
SCHEMBL727644 0.79 CFTR (0.40) KDM4EMEN1ALDH1A1TP53CYP3A4
Benzoic Acid SCHEMBL28982995 0.72 GAA (0.43) MEN1CYP3A4ALOX15MAPK1KMT2A
SCHEMBL28763488 0.71 GAA (0.40) KDM4EMEN1MAPTKMT2ATDP1
SCHEMBL4654217 0.71 DBH (0.35) CA1CA2CA7CA9MMP2
SCHEMBL5154627 0.69 NPC1 (0.32) CA2KDM4EMEN1ALDH1A1CYP3A4
SCHEMBL30727395 0.69 NPC1 (0.32) CA2KDM4EMEN1ALDH1A1CYP3A4
SCHEMBL28684184 0.68
Cinnamic Acid SCHEMBL28983011 0.67 HCAR2 (0.47) CA1CA2CA7CA9KDM4E
SCHEMBL28998304 0.67 EDNRA (0.32) KDM4EMEN1TP53MAPTKMT2A

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 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-1990482-B Flavanonol compounds and their production method and use ZHEJIANG HISUN PHARM CO LTD 2010-12-08 CN claimed
CN-1990482-A Flavanonol compounds and their production method and use ZHEJIANG HISUN NATURELITE PHAR (CN) 2007-07-04 CN 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
CN-115850295-A Preparation method and application of diketone compound dysosma versipellis biflavone A-E 河南中医药大学 2023-03-28 CN disclosed
CN-114957362-A Separation method of anti-inflammatory active ingredients of coreopsis tinctoria 中国科学院西北高原生物研究所 2022-08-30 CN disclosed
EP-4017585-A1 FLAVONOID DERIVATIVE FOR TREATING DENTAL CARIES Mühlbauer Technology GmbH (DE) 2022-06-29 EP disclosed
EP-3982916-A1 DYE COMPOSITION COMPRISING A COMBINATION OF TWO PLANT EXTRACTS OF LAWSONIA INERMIS Pierre Fabre Dermo-Cosmétique (FR) 2022-04-20 EP disclosed
US-11207265-B2 Extract of the aerial parts of Lawsonia inermis and its preparation method PIERRE FABRE DERMO-COSME FIQUE (FR) 2021-12-28 US disclosed
WO-2021032844-A1 FLAVONOID DERIVATIVE FOR TREATING DENTAL CARIES MÜHLBAUER TECHNOLOGY GMBH (DE) 2021-02-25 WO disclosed
CN-1097073-C Polymer composition and resist meterial WAKO PURE CHEM IND LTD (JP) 2002-12-25 CN disclosed
WO-2002047615-A2 ORAL COMPOSITIONS AND USE THEREOF UNIVERSITY OF ROCHESTER (US) 2002-06-20 WO disclosed
CN-1313765-A Therapeutic composition based on flavonoids for use in the treatment of tumours with cytotoxic agents LAFON L (FR) 2001-09-19 CN disclosed
EP-1024406-A1 Resist composition WAKO PURE CHEMICAL INDUSTRIES LTD (JP) 2000-08-02 EP disclosed
US-5976759-A ALKALI SOLUBLE BY HEATING WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1999-11-02 US disclosed
CN-1159459-A Polymer composition and resist meterial WAKO PURE CHEM IND LTD (JP) 1997-09-17 CN disclosed
EP-0780732-A2 Polymer composition and resist material WAKO PURE CHEMICAL INDUSTRIES LTD (JP) 1997-06-25 EP 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-11207265-B2 Extract of the aerial parts of Lawsonia inermis and its preparation method KRT18, MKI67, CD68 CA1 1160/4885CA2 2044/4885CA7 495/4885
US-20040057908-A1 Oral compositions and use thereof UGGT1, DPM1, B4GALT1 CA1 986/4885CA2 796/4885CA7 1713/4885

“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.