SCHEMBL1444851

SCHEMBL1444851

O=c1c2ccc(O)c(O)c2oc2c(O)c(O)ccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP1A1 P05023 3/20 1.00
ATP1B1 P05026 3/20 1.00
ATP1A3 P13637 3/20 1.00
ATP1B2 P14415 3/20 1.00
ATP1A2 P50993 3/20 1.00
ATP1B3 P54709 3/20 1.00
FXYD2 P54710 3/20 1.00
ATP1A4 Q13733 3/20 1.00
NUDT1 P36639 1/20 1.00
ACE P12821 2/20 0.70
PTGS2 P35354 1/20 0.70
MET P08581 1/20 0.62
PKLR P30613 1/20 0.58
GALNT2 Q10471 1/20 0.58
GALNT1 Q10472 1/20 0.58
GALNT3 Q14435 1/20 0.58
GALNT10 Q86SR1 1/20 0.58
GALNT13 Q8IUC8 1/20 0.58
GALNT6 Q8NCL4 1/20 0.58
GALNT14 Q96FL9 1/20 0.58

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
SCHEMBL30451609 1.00 ATP1A1 (1.00) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL151934 0.89 ATP1A1 (1.00) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL7227954 0.89 ATP1A1 (0.79) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL3874869 0.85 ATP1A1 (0.74) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL7238197 0.85 ATP1A1 (0.72) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL7330918 0.83 ACE (1.00) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
3,4-Dihydroxyxanthone SCHEMBL30668688 0.83 PTGS2 (1.00) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
3,4-Dihydroxyxanthone SCHEMBL133422 0.83 PTGS2 (1.00) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL152329 0.82 ACE (0.73) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL23240704 0.78 ATP1A1 (0.64) 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 69 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11654292-B2 Targeted osmotic lysis of malignant cancer cells using pulsed magnetic field gradients BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2023-05-23 US claimed
US-20200147405-A1 TARGETED OSMOTIC LYSIS OF MALIGNANT CANCER CELLS USING PULSED MAGNETIC FIELD GRADIENTS BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2020-05-14 US claimed
EP-2477494-B1 NA/K-ATPASE LIGANDS, OUABAIN ANTAGONISTS, ASSAYS AND USES THEREOF UNIV TOLEDO (US) 2015-11-11 EP claimed
CN-104968799-A Assays and cell-based tests using a receptor na/k-atpase/src complex and uses thereof UNIV TOLEDO 2015-10-07 CN claimed
US-20150272923-A1 Na/K-ATPase Ligands, Ouabain Antagonists, Assays and Uses Thereof THE UNIVERSITY OF TOLEDO (US) 2015-10-01 US claimed
US-9114126-B2 Na/K-ATPase ligands, ouabain antagonists, assays and uses thereof THE UNIVERSITY OF TOLEDO (US) 2015-08-25 US claimed
US-20150233925-A1 Assays and Cell-Based Tests Using a Receptor Na/K-ATPase/Src Complex and Uses Thereof THE UNIVERSITY OF TOLEDO (US) 2015-08-20 US claimed
US-9062022-B2 Polymer composition and dialysis membrane formed from the polymer composition THE UNIVERSITY OF AKRON (US) 2015-06-23 US claimed
US-20140031419-A1 Na/K-ATPase Ligands, Ouabain Antagonists, Assays and Uses Thereof THE UNIVERSITY OF TOLEDO (US) 2014-01-30 US claimed
WO-2013169931-A2 ASSAYS AND CELL-BASED TESTS USING A RECEPTOR NA/K-ATPASE/SRC COMPLEX AND USES THEREOF THE UNIVERSITY OF TOLEDO (US) 2013-11-14 WO claimed
EP-2373638-A1 POLYMER COMPOSITION AND DIALYSIS MEMBRANE FORMED FROM THE POLYMER COMPOSITION The University of Akron (US) 2011-10-12 EP claimed
US-20110233138-A1 POLYMER COMPOSITION AND DIALYSIS MEMBRANE FORMED FROM THE POLYMER COMPOSITION THE UNIVERSITY OF AKRON 2011-09-29 US claimed
WO-2010065484-A1 POLYMER COMPOSITION AND DIALYSIS MEMBRANE FORMED FROM THE POLYMER COMPOSITION THE UNIVERSITY OF AKRON (US) 2010-06-10 WO claimed
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-20240316085-A1 METHODS, AGENTS, AND DEVICES FOR LOCAL NEUROMODULATION OF AUTONOMIC NERVES Tulavi Therapeutics, Inc. 2024-09-26 US disclosed
US-12029733-B2 Treatment of sepsis and related inflammatory conditions by local neuromodulation of the autonomic nervous system Tulavi Therapeutics, Inc. (US) 2024-07-09 US 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 (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-20150272923-A1 Na/K-ATPase Ligands, Ouabain Antagonists, Assays and Uses Thereof ATP1A2, ATP1B1, ATP1A1 ATP1A1 3/4885ATP1B1 2/4885ATP1A3 7/4885
US-20140031419-A1 Na/K-ATPase Ligands, Ouabain Antagonists, Assays and Uses Thereof ATP1A2, ATP1B1, ATP1A1 ATP1A1 3/4885ATP1B1 2/4885ATP1A3 7/4885
US-20110233138-A1 POLYMER COMPOSITION AND DIALYSIS MEMBRANE FORMED FROM THE POLYMER COMPOSITION PROC, LNPK, F10 ATP1A1 2528/4885ATP1B1 2752/4885ATP1A3 2950/4885

“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.