SCHEMBL82554

SCHEMBL82554

CCCCCC1=C(CCCCC)C(=O)OC1=O

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 7/20 0.69
CDC25B P30305 7/20 0.69
CDC25C P30307 6/20 0.69
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
THRB P10828 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALOX5 P09917 12/20 0.41

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
SCHEMBL6243699 0.98 CDC25A (0.72) CDC25ACDC25BCDC25CALDH1A1MAPT
SCHEMBL9631357 0.98 CDC25A (0.72) CDC25ACDC25BCDC25CALDH1A1MAPT
SCHEMBL6242255 0.98 CDC25A (0.72) CDC25ACDC25BCDC25CALDH1A1MAPT
SCHEMBL17706772 0.98 CDC25A (0.72) CDC25ACDC25BCDC25CALDH1A1MAPT
SCHEMBL11176370 0.98 CDC25A (0.72) CDC25ACDC25BCDC25CALDH1A1MAPT
SCHEMBL27810681 0.98 CDC25A (0.72) CDC25ACDC25BCDC25CALDH1A1MAPT
SCHEMBL17122005 0.93 CDC25A (0.68) CDC25ACDC25BCDC25CALDH1A1MAPT
SCHEMBL4302635 0.92 CDC25A (0.60) CDC25ACDC25BCDC25CALDH1A1MAPT
SCHEMBL23581852 0.87 CDC25A (0.56) CDC25ACDC25BCDC25CALDH1A1MAPT
SCHEMBL2662258 0.86 CDC25A (0.55) CDC25ACDC25BCDC25CALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1991012139-A1 IMAGING PROCESS COURTAULDS PLC (GB) 1991-08-22 WO claimed
US-20120142781-A1 Antagonists of the Magnesium Binding Defect as Therapeutic Agents and Methods for Treatment of Abnormal Physiological States MAGNESIUM DIAGNOSTICS INC. (US) 2012-06-07 US disclosed
US-20120142781-A1 Antagonists of the Magnesium Binding Defect as Therapeutic Agents and Methods for Treatment of Abnormal Physiological States MAGNESIUM DIAGNOSTICS INC. (US) 2012-06-07 US disclosed
US-8129545-B2 Antagonists of the magnesium binding defect as therapeutic agents and methods for treatment of abnormal physiological states MAGNESIUM DIAGNOSTICS, INC. (US) 2012-03-06 US disclosed
US-8129545-B2 Antagonists of the magnesium binding defect as therapeutic agents and methods for treatment of abnormal physiological states MAGNESIUM DIAGNOSTICS, INC. (US) 2012-03-06 US disclosed
US-20110281923-A1 ANTAGONISTS OF THE MAGNESIUM BINDING DEFECT AS THERAPEUTIC AGENTS AND METHODS FOR TREATMENT OF ABNORMAL PHYSIOLOGICAL STATES MAGNESIUM DIAGNOSTICS INC. (US) 2011-11-17 US disclosed
US-20110281923-A1 ANTAGONISTS OF THE MAGNESIUM BINDING DEFECT AS THERAPEUTIC AGENTS AND METHODS FOR TREATMENT OF ABNORMAL PHYSIOLOGICAL STATES MAGNESIUM DIAGNOSTICS INC. (US) 2011-11-17 US disclosed
US-7982048-B2 Antagonists of the magnesium binding defect as therapeutic agents and methods for treatment of abnormal physiological states MAGNESIUM DIAGNOSTICS, INC. (US) 2011-07-19 US disclosed
US-7982048-B2 Antagonists of the magnesium binding defect as therapeutic agents and methods for treatment of abnormal physiological states MAGNESIUM DIAGNOSTICS, INC. (US) 2011-07-19 US disclosed
US-20110021633-A1 Antagonists of the Magnesium Binding Defect as Therapeutic Agents and Methods for Treatment of Abnormal Physiological States MAGNESIUM DIAGNOSTICS, INC. 2011-01-27 US disclosed
US-20060069259-A1 Antagonists of the magnesium binding defect as therapeutic agents and methods for treatment of abnormal physiological states MAGNESIUM DIAGNOSTICS, INC. 2006-03-30 US disclosed
US-20050096279-A1 Antagonists of the magnesium binding defect as therapeutic agents and methods for treatment of abnormal physiological states MAGNESIUM DIAGNOSTICS, INC. 2005-05-05 US disclosed
US-6855826-B2 Antagonists of the magnesium binding defect as therapeutic agents and methods for treatment of abnormal physiological states MAGNESIUM DIAGNOSTICS, INC. (US) 2005-02-15 US disclosed
US-20040110692-A1 Antagonists of the magnesium binding defect as therapeutic agents and methods for treatment of abnormal physiological states MAGNESIUM DIAGNOSTICS, INC. 2004-06-10 US disclosed
US-6664420-B2 For therapy of hypertension, type 2 insulin-resistant diabetes mellitus, ecalmpsia and preeclampsia MAGNESIUM DIAGNOSTICS, INC. 2003-12-16 US disclosed
EP-1355638-A2 ANTAGONISTS OF THE MAGNESIUM BINDING DEFECT AS THERAPEUTIC AGENTS AND METHODS FOR TREATMENT OF ABNORMAL PHYSIOLOGICAL STATES Magnesium Diagnostics, Inc. (US) 2003-10-29 EP disclosed
US-20030040625-A1 Antagonists of the magnesium binding defect as therapeutic agents and methods for treatment of abnormal physiological states MAGNESIUM DIAGNOSTICS, INC. 2003-02-27 US disclosed
US-6455734-B1 ADMINISTERING PHENYLGLYCINAMIDE(N-2,4-DIAMYLPENTANOIC ACID AMIDE) AS HYPOTENSIVE AGENTS FOR PROPHYLAXIS OF INSULIN RESISTANCE, ECLAMPSIA AND SENSITIVITY TO BLOOD METAL CONCENTRATIONS MAGNESIUM DIAGNOSTICS, INC. 2002-09-24 US disclosed
WO-2002011714-A2 ANTAGONISTS OF THE MAGNESIUM BINDING DEFECT AS THERAPEUTIC AGENTS AND METHODS FOR TREATMENT OF ABNORMAL PHYSIOLOGICAL STATES MAGNESIUM DIAGNOSTICS, INC. (US) 2002-02-14 WO disclosed
WO-1991012139-A1 IMAGING PROCESS COURTAULDS PLC (GB) 1991-08-22 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 (7 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-20040110692-A1 Antagonists of the magnesium binding defect as therapeutic agents and methods for treatment of abnormal physiological states PLPBP, ECE1, MCU CDC25A 2009/4885CDC25B 2269/4885CDC25C 2669/4885
US-20030040625-A1 Antagonists of the magnesium binding defect as therapeutic agents and methods for treatment of abnormal physiological states ECE1, PLPBP, ECE2 CDC25A 1713/4885CDC25B 1914/4885CDC25C 2385/4885
US-20120142781-A1 Antagonists of the Magnesium Binding Defect as Therapeutic Agents and Methods for Treatment of Abnormal Physiological States PLPBP, ECE1, MCU CDC25A 2009/4885CDC25B 2269/4885CDC25C 2669/4885
US-20110021633-A1 Antagonists of the Magnesium Binding Defect as Therapeutic Agents and Methods for Treatment of Abnormal Physiological States PLPBP, ECE1, MCU CDC25A 2009/4885CDC25B 2269/4885CDC25C 2669/4885
US-20060069259-A1 Antagonists of the magnesium binding defect as therapeutic agents and methods for treatment of abnormal physiological states ECE1, PLPBP, ECE2 CDC25A 1713/4885CDC25B 1914/4885CDC25C 2385/4885
US-20050096279-A1 Antagonists of the magnesium binding defect as therapeutic agents and methods for treatment of abnormal physiological states PLPBP, ECE1, MCU CDC25A 2009/4885CDC25B 2269/4885CDC25C 2669/4885
US-20110281923-A1 ANTAGONISTS OF THE MAGNESIUM BINDING DEFECT AS THERAPEUTIC AGENTS AND METHODS FOR TREATMENT OF ABNORMAL PHYSIOLOGICAL STATES PLPBP, ECE1, MCU CDC25A 2009/4885CDC25B 2269/4885CDC25C 2669/4885

“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.