SCHEMBL7228336

SCHEMBL7228336

O=c1c2cccc(O)c2oc2c(O)cccc12

nearest known ligand 0.79

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATP1A1 P05023 3/20 0.79
ATP1B1 P05026 3/20 0.79
ATP1A3 P13637 3/20 0.79
ATP1B2 P14415 3/20 0.79
ATP1A2 P50993 3/20 0.79
ATP1B3 P54709 3/20 0.79
FXYD2 P54710 3/20 0.79
ATP1A4 Q13733 3/20 0.79
MAOA P21397 11/20 0.75
EGFR P00533 1/20 0.69
NUDT1 P36639 2/20 0.57
ACHE P22303 1/20 0.51
MAOB P27338 1/20 0.51
LOXL2 Q9Y4K0 1/20 0.50
PTGS2 P35354 1/20 0.50
RELA Q04206 1/20 0.50
PTPN1 P18031 1/20 0.49
KDM5A P29375 1/20 0.47
TTR P02766 1/20 0.44

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
SCHEMBL151934 0.89 ATP1A1 (1.00) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL12359896 0.86 MAOA (0.69) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL1788224 0.86 MAOA (1.00) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL8958340 0.86 MAOA (0.74) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL23240848 0.86 ATP1A1 (0.71) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL5141096 0.85 ATP1A1 (0.59) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL23240708 0.84 ATP1A1 (0.73) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL31258561 0.83 MAOA (0.65) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL7237614 0.83 MAOA (0.65) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL30738503 0.82 MAOA (1.00) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0888052-A4 XANTHONE ANALOGS FOR THE TREATMENT OF INFECTIOUS DISEASES INTERLAB CORP (US) 2002-05-22 EP claimed
EP-0888052-A1 XANTHONE ANALOGS FOR THE TREATMENT OF INFECTIOUS DISEASES INTERLAB CORPORATION (US) 1999-01-07 EP claimed
WO-1997034482-A1 XANTHONE ANALOGS FOR THE TREATMENT OF INFECTIOUS DISEASES INTERLAB CORP. (US) 1997-09-25 WO claimed
US-20230130102-A1 Na/K-ATPase LIGANDS AND USE THEREOF FOR TREATMENT OF CANCER MARSHALL UNIVERSITY RESEARCH CORPORATION 2023-04-27 US disclosed
US-20230130102-A1 Na/K-ATPase LIGANDS AND USE THEREOF FOR TREATMENT OF CANCER MARSHALL UNIVERSITY RESEARCH CORPORATION 2023-04-27 US disclosed
WO-2021072083-A1 Na/K-ATPase LIGANDS AND USE THEREOF FOR TREATMENT OF CANCER MARSHALL UNIVERSITY RESEARCH CORPORATION (US) 2021-04-15 WO disclosed
US-6613797-B2 New xanthone derivatives useful for treating protozoan diseases INTERLAB, INC. 2003-09-02 US disclosed
EP-0888052-A4 XANTHONE ANALOGS FOR THE TREATMENT OF INFECTIOUS DISEASES INTERLAB CORP (US) 2002-05-22 EP disclosed
US-20020055644-A1 Xanthone analogs for treating infectious diseases and complexation of heme and porphyrins INTERLAB, INC. 2002-05-09 US disclosed
WO-2001041773-A1 XANTHONE ANALOGS FOR TREATING INFECTIOUS DISEASES AND COMPLEXATION OF HEME AND PORPHYRINS INTERLAB, INC. (US) 2001-06-14 WO disclosed
EP-0888052-A1 XANTHONE ANALOGS FOR THE TREATMENT OF INFECTIOUS DISEASES INTERLAB CORPORATION (US) 1999-01-07 EP disclosed
WO-1997034482-A1 XANTHONE ANALOGS FOR THE TREATMENT OF INFECTIOUS DISEASES INTERLAB CORP. (US) 1997-09-25 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-20230130102-A1 Na/K-ATPase LIGANDS AND USE THEREOF FOR TREATMENT OF CANCER ATP1A1, ATP1A2, ATP4A ATP1A1 1/4885ATP1B1 4/4885ATP1A3 9/4885
US-20020055644-A1 Xanthone analogs for treating infectious diseases and complexation of heme and porphyrins XPA, XDH, HMOX1 ATP1A1 2015/4885ATP1B1 2280/4885ATP1A3 2604/4885

“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.