SCHEMBL4580793

SCHEMBL4580793

O=CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.48
SLC6A9 P48067 1/20 0.39
ALDH1A1 P00352 3/20 0.37
MAPT P10636 2/20 0.37
CYP1A2 P05177 1/20 0.37
HPGD P15428 1/20 0.37
TFPI2 P48307 1/20 0.35
S1PR1 P21453 1/20 0.34
TSHR P16473 1/20 0.33
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL3987598 1.00 HSD17B10 (0.48) HSD17B10SLC6A9ALDH1A1MAPTCYP1A2
SCHEMBL5237881 0.98 HSD17B10 (0.47) HSD17B10SLC6A9ALDH1A1MAPTCYP1A2
SCHEMBL2909901 0.87 HSD17B10 (0.39) HSD17B10SLC6A9ALDH1A1MAPTCYP1A2
Tetraxetan SCHEMBL2017956 0.83 HSD17B10 (0.64) HSD17B10SLC6A9ALDH1A1MAPTCYP1A2
SCHEMBL321989 0.83 HSD17B10 (0.64) HSD17B10SLC6A9ALDH1A1MAPTCYP1A2
SCHEMBL6848102 0.83 HSD17B10 (0.64) HSD17B10SLC6A9ALDH1A1MAPTCYP1A2
Tetraxetan SCHEMBL2635294 0.83 HSD17B10 (0.64) HSD17B10SLC6A9ALDH1A1MAPTCYP1A2
SCHEMBL173508 0.83 HSD17B10 (0.64) HSD17B10SLC6A9ALDH1A1MAPTCYP1A2
Tetraxetan SCHEMBL18018 0.83 HSD17B10 (0.64) HSD17B10SLC6A9ALDH1A1MAPTCYP1A2
SCHEMBL3503521 0.83 HSD17B10 (0.64) HSD17B10SLC6A9ALDH1A1MAPTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0988305-B1 A PROCESS FOR THE PREPARATION OF 5H,9bH-2a, 4a,7,9a-OCTAHYDROTETRAAZACYCLOOCTA [cd] PENTALENE BRACCO INT BV (NL) 2007-03-28 EP claimed
CN-116547271-A Production method for preparing gadoteridol 伯拉考成像股份公司 2023-08-04 CN disclosed
US-7351389-B2 Aminocarboxylate ligands having substituted aromatic amide moieties BRACCO INTERNATIONAL B.V. (NL) 2008-04-01 US disclosed
EP-0988305-B1 A PROCESS FOR THE PREPARATION OF 5H,9bH-2a, 4a,7,9a-OCTAHYDROTETRAAZACYCLOOCTA [cd] PENTALENE BRACCO INT BV (NL) 2007-03-28 EP disclosed
EP-0988294-B1 A PROCESS FOR THE PREPARATION OF MACROCYCLIC CHELANTS AND THE CHELATES THEREOF WITH PARAMAGNETIC METAL IONS BRACCO INT BV (NL) 2005-11-02 EP disclosed
US-20050090689-A1 Aminocarboxylate ligands having substituted aromatic amide moieties BRACCO INTERNATIONAL B.V. (NL) 2005-04-28 US disclosed
US-6875864-B2 Aminocarboxylate ligands having substituted aromatic amide moieties BRACCO INTERNATIONAL B.V. (NL) 2005-04-05 US disclosed
US-20030171561-A1 Aminocarboxylate ligands having substituted aromatic amide moieties BRACCO SUISSE SA (CH) 2003-09-11 US disclosed
EP-0991471-B1 METHOD FOR THE DEIONIZATION OF SUBSTANCES THAT ARE NOT STABLE AT ACIDIC pH BRACCO INT BV (NL) 2003-08-27 EP disclosed
EP-0989974-B1 A PROCESS FOR THE PREPARATION OF 1,4,7,10-TETRAAZACYCLODODECANE-1,4,7-TRIACETIC ACID AND THE DERIVATIVES THEREOF BRACCO INT BV (NL) 2002-09-18 EP disclosed
EP-0988305-A1 A PROCESS FOR THE PREPARATION OF 5H,9bH-2a, 4a,7,9a-OCTAHYDROTETRAAZACYCLOOCTA cd]PENTALENE BRACCO INTERNATIONAL B.V. (NL) 2000-03-29 EP disclosed
US-6042810-A Process for the preparation of macrocyclic chelants and the chelates thereof with paramagnetic metal ions DIBRA S.P.A. (IT) 2000-03-28 US disclosed
US-5962679-A Process for the preparation of 1,4,7,10-tetraaza-cyclododecane-1,4,7-triacetic acid and the derivatives thereof DIBRA S.P.A. (IT) 1999-10-05 US disclosed
US-5925753-A Process for the preparation of 5H, 9bH-2a, 4a, 7, 9a-octahydro-tetraazacycloocta cd!pentalene DIBRA S.P.A. (IT) 1999-07-20 US disclosed
US-5925752-A Process for the preparation of macrocyclic chelants and the chelates thereof with paramagnetic metal ions DIBRA S.P.A. (IT) 1999-07-20 US disclosed
WO-1998056504-A1 METHOD FOR THE DEIONIZATION OF SUBSTANCES THAT ARE NOT STABLE AT ACIDIC pH BRACCO S.P.A. (IT) 1998-12-17 WO disclosed
WO-1998056791-A1 A PROCESS FOR THE PREPARATION OF 5H,9bH-2a, 4a,7,9a-OCTAHYDROTETRAAZACYCLOOCTA [cd]PENTALENE BRACCO S.P.A. (IT) 1998-12-17 WO disclosed
US-5573752-A Aromatic amide compounds and metal chelates thereof BRACCO INTERNATIONAL B.V. 1996-11-12 US disclosed
EP-0702677-A1 AROMATIC AMIDE COMPOUNDS AND METAL CHELATES THEREOF BRACCO International B.V. (NL) 1996-03-27 EP disclosed
WO-1995027705-A1 AROMATIC AMIDE COMPOUNDS AND METAL CHELATES THEREOF BRACCO INTERNATIONAL B.V. (NL) 1995-10-19 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 (2 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-20030171561-A1 Aminocarboxylate ligands having substituted aromatic amide moieties ARGLU1, PRMT1, AADAC HSD17B10 4364/4885SLC6A9 1383/4885ALDH1A1 741/4885
US-20050090689-A1 Aminocarboxylate ligands having substituted aromatic amide moieties AADAC, ANXA3, AAAS HSD17B10 4486/4885SLC6A9 1443/4885ALDH1A1 691/4885

“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.