SCHEMBL468799

SCHEMBL468799

CC(=O)NCC(=O)NCC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTH P32929 1/20 0.44
EGLN1 Q9GZT9 2/20 0.43
ALDH1A1 P00352 4/20 0.41
MAPT P10636 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
LMNA P02545 1/20 0.41
PTGS2 P35354 1/20 0.41
FAAH O00519 5/20 0.40
ADRA1A P35348 1/20 0.40
KDM4E B2RXH2 2/20 0.39
SOST Q9BQB4 1/20 0.39
MAPK1 P28482 1/20 0.39
HIF1A Q16665 1/20 0.39
APEX1 P27695 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
USP2 O75604 1/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL468870 1.00 CTH (0.44) CTHEGLN1ALDH1A1MAPTTDP1
Aceturic Acid SCHEMBL5876 0.89
Aceturic Acid SCHEMBL42918 0.89 CTH (0.52) CTHEGLN1ALDH1A1MAPTTDP1
Aceturic Acid SCHEMBL10710298 0.87 CTH (0.50) CTHEGLN1ALDH1A1MAPTTDP1
Aceturic Acid SCHEMBL31614105 0.87
Aceturic Acid SCHEMBL31348252 0.87
Aceturic Acid SCHEMBL9438413 0.87
Aceturic Acid SCHEMBL9130077 0.87
Aceturic Acid SCHEMBL2120015 0.87
Aceturic Acid SCHEMBL27411062 0.87

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114066264-B Comprehensive energy system operation optimization method and system considering comprehensive demand response 国网山东综合能源服务有限公司 2025-02-14 CN claimed
WO-2023165987-A1 PRECURSOR MARKERS AND RADIOTRACERS WITH THREE OR MORE TARGETING VECTORS FOR THERANOSTICS USED IN NUCLEAR MEDICINE Atoms for Cure GmbH (DE) 2023-09-07 WO claimed
CN-103245740-A Related substance of ethylenediamine diaceturate and detection method thereof LIAONING COTECH BIO GEN PHARMACEUTICAL CO LTD 2013-08-14 CN claimed
EP-4713874-A1 A MACHINE LEARNING APPROACH FOR CORONARY 3D RECONSTRUCTION FROM X-RAY ANGIOGRAPHY IMAGES Regents of the University of Michigan (US) 2026-03-25 EP disclosed
US-20260065475-A1 Machine Learning Approach for Coronary 3D Reconstruction from X-ray Angiography Images UNIV MICHIGAN (US) 2026-03-05 US disclosed
US-12475559-B2 Machine learning approach for coronary 3D reconstruction from X-ray angiography images REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2025-11-18 US disclosed
US-12448513-B2 Composition and method for the preparation of sheets, films, fibers, and molded parts ÉCOLE POLYTECHNIQUE FÉDÉRALE DE LAUSANNE (EPFL) (CH) 2025-10-21 US disclosed
US-20250111889-A1 DE NOVO DESIGNED MACROCYCLIC OLIGOAMIDES UNIVERSITY OF WASHINGTON 2025-04-03 US disclosed
CN-114066264-B Comprehensive energy system operation optimization method and system considering comprehensive demand response 国网山东综合能源服务有限公司 2025-02-14 CN disclosed
WO-2024237950-A1 A MACHINE LEARNING APPROACH FOR CORONARY 3D RECONSTRUCTION FROM X-RAY ANGIOGRAPHY IMAGES REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2024-11-21 WO disclosed
US-20240386547-A1 Machine Learning Approach for Coronary 3D Reconstruction from X-Ray Angiography Images REGENTS OF THE UNIVERSITY OF MICHIGAN 2024-11-21 US disclosed
US-20020137766-A1 Azabicyclooctane derivatives useful in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2002-09-26 US disclosed
CN-1361766-A Tricyclic compounds having acyloxymethoxycarbonyl side chain SHIONOGI PHARMACEUTICAL & CO L (JP) 2002-07-31 CN disclosed
CN-1087955-C Technetium-99m labeled imaging agents DIATECH INC (US) 2002-07-24 CN disclosed
EP-1219606-A1 TRICYCLIC COMPOUNDS BEARING ACYLOXYMETHOXYCARBONYL PENDANTS SHIONOGI & CO., LTD. (JP) 2002-07-03 EP disclosed
EP-1143925-A1 TOPICAL COMPOSITION COMPRISING N-ACETYLALDOSAMINES OR N-ACETYLAMINO ACIDS Yu, Ruey J., Dr. (US) 2001-10-17 EP disclosed
US-6159485-A COSMETICS; SKIN DISORDERS YUGENIC LIMITED PARTNERSHIP (US) 2000-12-12 US disclosed
WO-2000040217-A1 TOPICAL COMPOSITION COMPRISING N-ACETYLALDOSAMINES OR N-ACETYLAMINO ACIDS YUGENIC LIMITED PARTNERSHIP (US) 2000-07-13 WO disclosed
CN-1152881-A Technetium-99m labeled imaging agents DIATECH INC (US) 1997-06-25 CN disclosed
US-4267174-A AND PROCESS FOR ADMINISTERING BOEHRINGER MANNHEIM, GMBH (DE) 1981-05-12 US 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-20250111889-A1 DE NOVO DESIGNED MACROCYCLIC OLIGOAMIDES DHFR, CCNH, ODC1 CTH 59/4885EGLN1 1608/4885ALDH1A1 4524/4885
US-20260065475-A1 Machine Learning Approach for Coronary 3D Reconstruction from X-ray Angiography Images CAD, PLAU, MATR3 CTH 3809/4885EGLN1 1479/4885ALDH1A1 4460/4885
US-20020137766-A1 Azabicyclooctane derivatives useful in the treatment of cardiac arrhythmias KCNH1, KCNH2, KCNH3 CTH 1323/4885EGLN1 2602/4885ALDH1A1 315/4885

“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.