SCHEMBL188713

SCHEMBL188713

CCCCCCCCCCCCCC=CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O

nearest known ligand 0.80

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NAA50 Q9GZZ1 2/20 0.80
CHAT P28329 2/20 0.76
EP300 Q09472 4/20 0.75
KAT5 Q92993 2/20 0.75
AURKA O14965 2/20 0.75
KAT2B Q92831 1/20 0.75
CREBBP Q92793 1/20 0.69

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
SCHEMBL1590966 1.00 NAA50 (0.80) NAA50CHATEP300KAT5AURKA
SCHEMBL2510587 1.00 NAA50 (0.80) NAA50CHATEP300KAT5AURKA
SCHEMBL14836951 1.00 NAA50 (0.80) NAA50CHATEP300KAT5AURKA
SCHEMBL1331291 1.00 NAA50 (0.80) NAA50CHATEP300KAT5AURKA
SCHEMBL19181352 1.00 NAA50 (0.80) NAA50CHATEP300KAT5AURKA
SCHEMBL2513740 1.00 NAA50 (0.80) NAA50CHATEP300KAT5AURKA
SCHEMBL188145 1.00 NAA50 (0.80) NAA50CHATEP300KAT5AURKA
SCHEMBL188242 1.00 NAA50 (0.80) NAA50CHATEP300KAT5AURKA
SCHEMBL6061352 1.00 NAA50 (0.80) NAA50CHATEP300KAT5AURKA
SCHEMBL31338605 1.00 NAA50 (0.80) NAA50CHATEP300KAT5AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4551712-A1 BIOPESTICIDE COMPOSITION FMC Agricultural Solutions A/S (DK) 2025-05-14 EP claimed
US-20240287555-A1 METHODS AND YEAST CELLS FOR PRODUCTION OF DESATURATED COMPOUNDS FMC Agricultural Solutions A/S (DK) 2024-08-29 US claimed
EP-4363561-A1 METHODS AND YEAST CELLS FOR PRODUCTION OF DESATURATED COMPOUNDS FMC Agricultural Solutions A/S (DK) 2024-05-08 EP claimed
CN-117916363-A Method for producing desaturated compounds and yeast cells 富美实农业解决方案公司 2024-04-19 CN claimed
WO-2024008622-A1 BIOPESTICIDE COMPOSITION FMC Agricultural Solutions A/S (DK) 2024-01-11 WO claimed
WO-2023275374-A1 METHODS AND YEAST CELLS FOR PRODUCTION OF DESATURATED COMPOUNDS BIOPHERO APS (DK) 2023-01-05 WO claimed
EP-4551712-A1 BIOPESTICIDE COMPOSITION FMC Agricultural Solutions A/S (DK) 2025-05-14 EP disclosed
US-20240287555-A1 METHODS AND YEAST CELLS FOR PRODUCTION OF DESATURATED COMPOUNDS FMC Agricultural Solutions A/S (DK) 2024-08-29 US disclosed
EP-4380916-A1 METHOD FOR PRODUCING FATTY ALDEHYDES AND DERIVATIVES THEREOF FMC Agricultural Solutions A/S (DK) 2024-06-12 EP disclosed
EP-4363561-A1 METHODS AND YEAST CELLS FOR PRODUCTION OF DESATURATED COMPOUNDS FMC Agricultural Solutions A/S (DK) 2024-05-08 EP disclosed
CN-117916363-A Method for producing desaturated compounds and yeast cells 富美实农业解决方案公司 2024-04-19 CN disclosed
WO-2024008622-A1 BIOPESTICIDE COMPOSITION FMC Agricultural Solutions A/S (DK) 2024-01-11 WO disclosed
WO-2023012151-A1 METHOD FOR PRODUCING FATTY ALDEHYDES AND DERIVATIVES THEREOF BIOPHERO APS (DK) 2023-02-09 WO disclosed
US-20110282587-A1 COMPUTER READABLE STORAGE MEDIUMS, METHODS AND SYSTEMS FOR NORMALIZING CHEMICAL PROFILES IN BIOLOGICAL OR MEDICAL SAMPLES DETECTED BY MASS SPECTROMETRY EMORY UNIVERSITY (US) 2011-11-17 US disclosed
US-20110246081-A1 Metabolomics-Based Identification of Disease-Causing Agents GEORGIA TECH RESEARCH CORPORATION (US) 2011-10-06 US disclosed
EP-2230312-A1 Probe compound for detecting and isolating enzymes and means and methods using the same Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2010-09-22 EP disclosed
WO-2010098865-A1 MAMMALIAN CELL LINE MODELS AND RELATED METHODS GT LIFE SCIENCES, INC. (US) 2010-09-02 WO disclosed
US-20100143940-A1 (3R)-HYDROXYACYL-ACP DEHYDRATASE ENZYMES USED IN THE BIOSYNTHESIS OF MYCOLIC ACIDS AND USE OF SAME FOR SCREENING ANTIBIOTICS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2010-06-10 US disclosed
WO-2009052186-A1 METABOLOMICS-BASED IDENTIFICATION OF DISEASE-CAUSING AGENTS GEORGIA TECH RESEARCH CORPORATION (US) 2009-04-23 WO disclosed
US-20060147899-A1 Multicellular metabolic models and methods GENOMATICA, INC. 2006-07-06 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 (1 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-20100143940-A1 (3R)-HYDROXYACYL-ACP DEHYDRATASE ENZYMES USED IN THE BIOSYNTHESIS OF MYCOLIC ACIDS AND USE OF SAME FOR SCREENING ANTIBIOTICS COASY, RIMKLA, HAGH NAA50 228/4885CHAT 1154/4885EP300 1287/4885

“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.