SCHEMBL405746

SCHEMBL405746

COC(=O)C(C(=O)OC)[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
CA14 Q9ULX7 2/20 0.34
CYP2C19 P33261 1/20 0.33
CA12 O43570 1/20 0.32
KMT2A Q03164 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL10111520 0.88 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2CA14CYP2C19KMT2A
SCHEMBL27853893 0.88 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2CA14CYP2C19KMT2A
SCHEMBL10464095 0.84 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2
SCHEMBL21578228 0.84 SMN1; SMN2 (0.35) ALDH1A1SMN1; SMN2CA14CA12KMT2A
SCHEMBL16209947 0.80 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2KMT2ACA2
SCHEMBL11418641 0.79 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2CA14CYP2C19CA12
SCHEMBL28271774 0.77 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2CA14CYP2C19CA12
Potassium Ion SCHEMBL11417823 0.77 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2CA14CYP2C19CA12
SCHEMBL11417834 0.77 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2CA14CYP2C19CA12
SCHEMBL1009849 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10060033-B2 Precursors for the production of thin oxide layers and the use thereof MERCK PATENT GMBH (DE) 2018-08-28 US claimed
EP-3041847-B1 PRECURSORS FOR THE PRODUCTION OF THIN OXIDE LAYERS AND THE USE THEREOF MERCK PATENT GMBH (DE) 2017-09-27 EP claimed
US-20160208386-A1 PRECURSORS FOR THE PRODUCTION OF THIN OXIDE LAYERS AND THE USE THEREOF MERCK PATENT GMBH (DE) 2016-07-21 US claimed
CN-119915922-A Method for identifying and judging characteristic precursors of disinfection byproducts in drinking water containing new pollutants 山东建筑大学 2025-05-02 CN disclosed
US-12258349-B2 Anti-viral drug DORING INTERNATIONAL GMBH (CH) 2025-03-25 US disclosed
CN-117088818-A Synthesis method of 4, 6-dichloro-2-propylthio-5-aminopyrimidine 河北博伦特药业有限公司 2023-11-21 CN disclosed
US-20220298164-A1 ANTI-VIRAL DRUG DORING INTERNATIONAL GMBH (CN) 2022-09-22 US disclosed
US-11370797-B2 Anti-viral drug DORING INTERNATIONAL GMBH (CH) 2022-06-28 US disclosed
US-10060033-B2 Precursors for the production of thin oxide layers and the use thereof MERCK PATENT GMBH (DE) 2018-08-28 US disclosed
EP-3041847-B1 PRECURSORS FOR THE PRODUCTION OF THIN OXIDE LAYERS AND THE USE THEREOF MERCK PATENT GMBH (DE) 2017-09-27 EP disclosed
US-20160208386-A1 PRECURSORS FOR THE PRODUCTION OF THIN OXIDE LAYERS AND THE USE THEREOF MERCK PATENT GMBH (DE) 2016-07-21 US disclosed
WO-2010085581-A1 SUBSTITUTED OXADIAZOLE DERIVATIVES AS S1P AGONISTS IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-29 WO disclosed
WO-2010085581-A1 SUBSTITUTED OXADIAZOLE DERIVATIVES AS S1P AGONISTS IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-29 WO disclosed
WO-2010085582-A1 SUBSTITUTED OXADIAZOLE DERIVATIVES AS S1P AGONISTS IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-29 WO disclosed
WO-2010085582-A1 SUBSTITUTED OXADIAZOLE DERIVATIVES AS S1P AGONISTS IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-29 WO disclosed
US-20090312560-A1 PROCESSES FOR MAKING PREGABALIN AND INTERMEDIATES THEREFOR SYNTHON BV (NL) 2009-12-17 US disclosed
WO-2009149928-A1 PROCESSES FOR MAKING PREGABALIN AND INTERMEDIATES THEREFOR SYNTHON B.V. (NL) 2009-12-17 WO disclosed
US-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 US disclosed
WO-2004018428-A1 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO disclosed
US-3939184-A Production of carbonyl compounds substituted in α-position BADISCHE ANILIN- & SODA-FABRIK AKTIENGESELLSCHAFT (DT) 1976-02-17 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 (5 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-20220298164-A1 ANTI-VIRAL DRUG ZC3HAV1, ZC3HAV1L, SARS1 ALDH1A1 1309/4885SMN1; SMN2 2218/4885CA14 885/4885
US-11370797-B2 Anti-viral drug NSUN3, EIF2AK2, NSUN2 ALDH1A1 1794/4885SMN1; SMN2 498/4885CA14 3687/4885
US-20090312560-A1 PROCESSES FOR MAKING PREGABALIN AND INTERMEDIATES THEREFOR GABRB2, GABRB1, GABRB3 ALDH1A1 510/4885SMN1; SMN2 3905/4885CA14 2143/4885
US-12258349-B2 Anti-viral drug ZC3HAV1, ZC3HAV1L, SARS1 ALDH1A1 1309/4885SMN1; SMN2 2218/4885CA14 885/4885
US-20040110802-A1 Antibacterial benzoic acid derivatives GABRD, GABBR1, GABRA1 ALDH1A1 170/4885SMN1; SMN2 2022/4885CA14 3757/4885

“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.