SCHEMBL20600359

SCHEMBL20600359

O=C(O)COCCN(CCOC(CC(=O)O)C(=O)O)CC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 2/20 0.47
PMP22 Q01453 2/20 0.47
HSD17B10 Q99714 1/20 0.47
TDP1 Q9NUW8 2/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
CHRM2 P08172 1/20 0.37
ADRA2A P08913 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
DRD1 P21728 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
CYP2C19 P33261 1/20 0.37
ADRA1A P35348 1/20 0.37
DRD3 P35462 1/20 0.37
SLC6A3 Q01959 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
EYA2 O00167 1/20 0.34
APP P05067 1/20 0.34

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
SCHEMBL2131480 0.91 BLM (0.47) BLMPMP22HSD17B10TDP1KDM4E
SCHEMBL6552512 0.84 BLM (0.42) BLMPMP22HSD17B10TDP1KDM4E
SCHEMBL1360877 0.82 BLM (0.38) BLMPMP22HSD17B10TDP1KDM4E
SCHEMBL16097600 0.82 BLM (0.68) BLMPMP22HSD17B10TDP1KDM4E
SCHEMBL20600385 0.81
SCHEMBL20600384 0.81
Edetic Acid SCHEMBL8349492 0.79 TDP1 (0.50) BLMPMP22HSD17B10TDP1KDM4E
Nitrilotriacetic Acid SCHEMBL10351449 0.79 TDP1 (0.38) BLMPMP22HSD17B10TDP1KDM4E
SCHEMBL14385983 0.78 BLM (0.42) BLMPMP22HSD17B10
SCHEMBL6903268 0.78 BLM (0.75) BLMPMP22HSD17B10TDP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110891931-B Method of preparing a chelant mixture, chelant mixture and method of using same 凯米拉公司 2022-11-08 CN claimed
CN-110891931-B Method of preparing a chelant mixture, chelant mixture and method of using same 凯米拉公司 2022-11-08 CN disclosed
CN-110959001-B Method of making a chelant mixture, chelant mixture and method of using same 凯米拉公司 2022-09-20 CN disclosed
US-11225456-B2 Process for the preparation of a mixture of chelating agents, mixture of chelating agents and methods of using them KEMIRA OYJ (FI) 2022-01-18 US disclosed
EP-3645506-B1 PROCESS FOR THE PREPARATION OF A MIXTURE OF CHELATING AGENTS, MIXTURE OF CHELATING AGENTS AND METHODS OF USING THEM KEMIRA OYJ (FI) 2021-11-24 EP disclosed
US-20200223786-A1 Process for the Preparation of a Mixture of Chelating Agents, Mixture of Chelating Agents and Methods of Using Them KEMIRA OYJ (FI) 2020-07-16 US disclosed
US-20200181063-A1 Process for the Preparation of a Mixture of Chelating Agents, Mixture of Chelating Agents and Methods of Using Them KEMIRA OYJ (FI) 2020-06-11 US disclosed
EP-3645508-A1 PROCESS FOR THE PREPARATION OF A MIXTURE OF CHELATING AGENTS, MIXTURE OF CHELATING AGENTS AND METHODS OF USING THEM Kemira Oyj (FI) 2020-05-06 EP disclosed
EP-3645506-A1 PROCESS FOR THE PREPARATION OF A MIXTURE OF CHELATING AGENTS, MIXTURE OF CHELATING AGENTS AND METHODS OF USING THEM Kemira Oyj (FI) 2020-05-06 EP disclosed
CN-110959001-A Method of preparing a chelant mixture, chelant mixture and method of using same 凯米拉公司 2020-04-03 CN disclosed
WO-2019002685-A1 PROCESS FOR THE PREPARATION OF A MIXTURE OF CHELATING AGENTS, MIXTURE OF CHELATING AGENTS AND METHODS OF USING THEM KEMIRA OYJ (FI) 2019-01-03 WO disclosed
WO-2019002684-A1 PROCESS FOR THE PREPARATION OF A MIXTURE OF CHELATING AGENTS, MIXTURE OF CHELATING AGENTS AND METHODS OF USING THEM KEMIRA OYJ (FI) 2019-01-03 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 (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-20200223786-A1 Process for the Preparation of a Mixture of Chelating Agents, Mixture of Chelating Agents and Methods of Using Them HDHD5, DDC, HNMT BLM 3590/4885PMP22 2074/4885HSD17B10 2270/4885
US-20200181063-A1 Process for the Preparation of a Mixture of Chelating Agents, Mixture of Chelating Agents and Methods of Using Them HDHD5, NISCH, DNAJC5 BLM 3363/4885PMP22 1901/4885HSD17B10 2251/4885
US-11225456-B2 Process for the preparation of a mixture of chelating agents, mixture of chelating agents and methods of using them HDHD5, NISCH, DNAJC5 BLM 3363/4885PMP22 1901/4885HSD17B10 2251/4885

“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.