SCHEMBL9779397

SCHEMBL9779397

CC(=O)CC(=O)NCCCN1CCOCC1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.60
ALDH1A1 P00352 2/20 0.60
PAOX Q6QHF9 1/20 0.60
LMNA P02545 2/20 0.59
KDM4E B2RXH2 1/20 0.59
HPGD P15428 1/20 0.58
DUSP3 P51452 1/20 0.58
MAPK1 P28482 1/20 0.56
HIF1A Q16665 1/20 0.56
RAB9A P51151 1/20 0.55
ADRA1A P35348 1/20 0.54
TSHR P16473 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
EPHX1 P07099 1/20 0.52

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
SCHEMBL9602488 0.90 TSHR (0.58) PAOXKDM4ETSHRSMN1; SMN2
SCHEMBL8433585 0.85 ALDH1A1 (0.66) GAAALDH1A1PAOXLMNAKDM4E
SCHEMBL23699040 0.85 GAA (0.62) GAAALDH1A1LMNAKDM4EHPGD
SCHEMBL12330918 0.85 GAA (0.67) GAAALDH1A1LMNAKDM4EHPGD
SCHEMBL2691461 0.85 GAA (0.66) GAAALDH1A1PAOXLMNAKDM4E
SCHEMBL12434010 0.84 GAA (0.69) GAAALDH1A1LMNAKDM4EHPGD
SCHEMBL7245255 0.83 ADRA1A (0.57) GAAALDH1A1MAPK1ADRA1ASMN1; SMN2
SCHEMBL14393566 0.83 ALDH1A1 (0.64) GAAALDH1A1PAOXLMNAKDM4E
SCHEMBL18628071 0.82 GAA (0.62) GAAALDH1A1LMNAKDM4EHPGD
SCHEMBL8252118 0.81 TP53 (0.79) GAAALDH1A1LMNAKDM4EHPGD

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220033436-A1 DERIVATIVE OF SARSASAPOGENIN, PHARMACEUTICAL COMPOSITION AND USE THEREOF PHYTOVENT BIOPHARMA (CN) 2022-02-03 US disclosed
US-9943498-B2 Fe(III) complex compounds for the treatment and prophylaxis of iron deficiency symptoms and iron deficiency anemias VIFOR (INTERNATIONAL) AG (CH) 2018-04-17 US disclosed
US-9943498-B2 Fe(III) complex compounds for the treatment and prophylaxis of iron deficiency symptoms and iron deficiency anemias VIFOR (INTERNATIONAL) AG (CH) 2018-04-17 US disclosed
US-20160310459-A1 Fe(III) Complex Compounds For The Treatment And Prophylaxis Of Iron Deficiency Symptoms And Iron Deficiency Anemias VIFOR (INTERNATIONAL) AG (CH) 2016-10-27 US disclosed
US-20160310459-A1 Fe(III) Complex Compounds For The Treatment And Prophylaxis Of Iron Deficiency Symptoms And Iron Deficiency Anemias VIFOR (INTERNATIONAL) AG (CH) 2016-10-27 US disclosed
US-9394324-B2 Fe(III) complex compounds for the treatment and prophylaxis of iron deficiency symptoms and iron deficiency anemias VIFOR (INTERNATIONAL) AG (CH) 2016-07-19 US disclosed
US-9394324-B2 Fe(III) complex compounds for the treatment and prophylaxis of iron deficiency symptoms and iron deficiency anemias VIFOR (INTERNATIONAL) AG (CH) 2016-07-19 US disclosed
US-20130109662-A1 Fe(III) Complex Compounds For The Treatment And Prophylaxis Of Iron Deficiency Symptoms And Iron Deficiency Anemias VIFOR (INTERNATIONAL) AG (CH) 2013-05-02 US disclosed
US-20130109662-A1 Fe(III) Complex Compounds For The Treatment And Prophylaxis Of Iron Deficiency Symptoms And Iron Deficiency Anemias VIFOR (INTERNATIONAL) AG (CH) 2013-05-02 US disclosed
US-5037824-A Cardiotonic, antiischemic agents FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1991-08-06 US disclosed
EP-0387070-A2 N-Containing heterocyclic compounds, processes for the preparation thereof and composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-09-12 EP 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-20130109662-A1 Fe(III) Complex Compounds For The Treatment And Prophylaxis Of Iron Deficiency Symptoms And Iron Deficiency Anemias FECH, SDHB, SLC40A1 GAA 215/4885ALDH1A1 1539/4885PAOX 1366/4885
US-20220033436-A1 DERIVATIVE OF SARSASAPOGENIN, PHARMACEUTICAL COMPOSITION AND USE THEREOF SARS1, ACE2, FURIN GAA 228/4885ALDH1A1 2025/4885PAOX 3066/4885
US-20160310459-A1 Fe(III) Complex Compounds For The Treatment And Prophylaxis Of Iron Deficiency Symptoms And Iron Deficiency Anemias FECH, SDHB, SLC40A1 GAA 215/4885ALDH1A1 1539/4885PAOX 1366/4885

“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.