SCHEMBL5579440

SCHEMBL5579440

COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3OC1CC(NCO)C(O)C(C)O1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 9/20 0.81
▸ KMT2A Q03164 9/20 0.81
▸ THRB P10828 8/20 0.81
▸ BLM P54132 7/20 0.81
▸ RECQL P46063 6/20 0.81
▸ TOP2A P11388 5/20 0.81
▸ TDP1 Q9NUW8 5/20 0.81
▸ HIF1A Q16665 5/20 0.81
▸ SMN1; SMN2 Q16637 5/20 0.81
▸ BRCA1 P38398 5/20 0.81
▸ MAPT P10636 4/20 0.81
▸ MAPK1 P28482 4/20 0.81
▸ HTT P42858 4/20 0.81
▸ PTGS1 P23219 3/20 0.81
▸ CHRM1 P11229 3/20 0.81
▸ TBXA2R P21731 3/20 0.81
▸ KDM4E B2RXH2 3/20 0.81
▸ ALDH1A1 P00352 3/20 0.81
▸ ABCB1 P08183 3/20 0.81
▸ FYN P06241 2/20 0.81

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
Hydrochloric Acid SCHEMBL27869989 0.99 MEN1 (0.81) MEN1KMT2ATHRBBLMRECQL
SCHEMBL27907464 0.97 MEN1 (0.78) MEN1KMT2ATHRBBLMRECQL
SCHEMBL7599040 0.96 MEN1 (0.80) MEN1KMT2ATHRBBLMRECQL
SCHEMBL18738448 0.96 MEN1 (0.81) MEN1KMT2ATHRBBLMRECQL
SCHEMBL28294533 0.95 MEN1 (0.82) MEN1KMT2ATHRBBLMRECQL
SCHEMBL9028767 0.95 MEN1 (0.79) MEN1KMT2ATHRBBLMRECQL
SCHEMBL43830 0.94 MEN1 (0.83) MEN1KMT2ATHRBBLMRECQL
SCHEMBL19962290 0.94 MEN1 (0.88) MEN1KMT2ATHRBBLMRECQL
SCHEMBL8535504 0.94 EBP (0.77) MEN1KMT2ATHRBBLMRECQL
SCHEMBL14817634 0.94 EBP (0.73) MEN1KMT2ATHRBBLMRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118340909-A Preparation method and application of copper-doped ZIF-8 nanocomposite 昆明理工大学 2024-07-16 — — CN claimed
CN-112237636-B Method for synthesizing zwitterionic amphiphilic dendritic macromolecule and encapsulating anti-cancer drug by using amphiphilic dendritic macromolecule 燕山大学 2022-05-24 — — CN claimed
CN-111888460-B Preparation method of nano drug-loaded micelle with daptomycin-entrapped small-molecule hydrophobic drug 燕山大学 2021-08-27 — — CN claimed
CN-112237636-A Method for synthesizing zwitterionic amphiphilic dendritic macromolecule and coating anticancer drug by using amphiphilic dendritic macromolecule 燕山大学 2021-01-19 — — CN claimed
CN-111888460-A Preparation method of nano drug-loaded micelle with daptomycin-entrapped small-molecule hydrophobic drug 燕山大学 2020-11-06 — — CN claimed
CN-104623685-B A kind of mesenchyma stroma of tumors pH responsive types targeting dendrimers and preparation method thereof 中国药科大学 2018-03-09 — — CN claimed
CN-118340909-A Preparation method and application of copper-doped ZIF-8 nanocomposite 昆明理工大学 2024-07-16 — — CN disclosed
CN-114606190-A Nano reagent for killing and foaming cells, cell micro-vesicle and preparation method and application thereof 东南大学 2022-06-10 — — CN disclosed
CN-112237636-B Method for synthesizing zwitterionic amphiphilic dendritic macromolecule and encapsulating anti-cancer drug by using amphiphilic dendritic macromolecule 燕山大学 2022-05-24 — — CN disclosed
CN-113616602-B Recombinant high-density lipoprotein-polyamide-amine nano-composite, preparation method and application 中国药科大学 2022-05-10 — — CN disclosed
CN-113616602-A Recombinant high-density lipoprotein-polyamide-amine nano-composite, preparation method and application 中国药科大学 2021-11-09 — — CN disclosed
CN-111888460-B Preparation method of nano drug-loaded micelle with daptomycin-entrapped small-molecule hydrophobic drug 燕山大学 2021-08-27 — — CN disclosed
CN-110037989-B Self-cracking multifunctional liposome and application thereof 东南大学 2021-07-09 — — CN disclosed
CN-106265510-B The multistage target polymer micella and preparation method thereof of pH trigger-type drug release in a kind of tumour cell 宁夏医科大学 2019-11-05 — — CN disclosed
CN-110051857-A A kind of preparation method and applications of the degradable mesoporous silica nano-particle of bimetal-doped multi-panel 华侨大学 2019-07-26 — — CN disclosed
CN-109364253-A One kind is for improving infiltrative nanoparticle of tumor tissues and its preparation method and application 南开大学 2019-02-22 — — CN disclosed
CN-108096214-A A kind of magnetotactic bacteria quantum dot microcapsules and preparation method thereof 曲阜师范大学 2018-06-01 — — CN disclosed
CN-104623685-B A kind of mesenchyma stroma of tumors pH responsive types targeting dendrimers and preparation method thereof 中国药科大学 2018-03-09 — — CN disclosed
US-20070275911-A1 Targeted Drug-Formaldehyde Conjugates and Methods of Making and Using the Same THE REGENTS OF THE UNIVERSITY OF COLORADO 2007-11-29 — — US disclosed
WO-2005034856-A2 TARGETED DRUG-FORMALDEHYDE CONJUGATES AND METHODS OF MAKING AND USING THE SAME THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2005-04-21 — — 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 (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-20070275911-A1 Targeted Drug-Formaldehyde Conjugates and Methods of Making and Using the Same HCAR1, DHFR, FOLR1 MEN1 3251/4885KMT2A 1881/4885THRB 1750/4885

“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.

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