SCHEMBL8842200

SCHEMBL8842200

O=C(O)CN(CCN(CC(=O)O)CC(Cc1ccc(O)cc1)N(CC(=O)O)CC(=O)O)CC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 9/20 0.41
OPRK1 P41145 9/20 0.41
OPRM1 P35372 6/20 0.41
SLC7A5 Q01650 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
EYA2 O00167 1/20 0.40
APP P05067 1/20 0.40
ACE P12821 1/20 0.40
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
CHRM2 P08172 1/20 0.39
ADRA2A P08913 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
DRD1 P21728 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
CYP2C19 P33261 1/20 0.39
ADRA1A P35348 1/20 0.39
DRD3 P35462 1/20 0.39

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
SCHEMBL2597563 0.88 TDP1 (0.42) OPRD1OPRK1OPRM1SLC7A5TDP1
SCHEMBL3108023 0.88 TDP1 (0.42) OPRD1OPRK1OPRM1SLC7A5TDP1
SCHEMBL2999347 0.88 TDP1 (0.42) OPRD1OPRK1OPRM1SLC7A5TDP1
SCHEMBL13315214 0.87 TDP1 (0.39) TDP1EYA2APPACEKDM4E
SCHEMBL29395464 0.87 TDP1 (0.39) TDP1EYA2APPACEKDM4E
SCHEMBL21652462 0.87 TDP1 (0.39) TDP1EYA2APPACEKDM4E
SCHEMBL189879 0.87 TDP1 (0.39) TDP1EYA2APPACEKDM4E
SCHEMBL8957471 0.86 CA1 (0.38) OPRD1OPRK1OPRM1CA2CA1
SCHEMBL19807012 0.85 COPS5 (0.38) TDP1EYA2APPACEKDM4E
SCHEMBL24627002 0.84 CA1 (0.40) TDP1EYA2APPACECA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11149041-B2 Process for the preparation of gadolinium complex of (4S)-4-(4-ethoxybenzyl)-3,6,9-tris(carboxylatomethyl)-3,6,9-triazaundecanedioic acid disodium (Gadoxetate disodium) BIOPHORE INDIA PHARMACEUTICALS PVT. LTD. (IN) 2021-10-19 US disclosed
US-20200123178-A1 Novel Process for the Preparation of Gadolinium Complex of (4S)-4-(4-Ethoxybenzyl)-3,6,9-Tris(Carboxylatomethyl)-3,6,9-Triazaundecanedioic Acid Disodium (Gadoxetate Disodium) BIOPHORE INDIA PHARMACEUTICALS PVT. LTD. (IN) 2020-04-23 US disclosed
US-5693309-A Substituted complexing agents, complexes, and complex salts, processes for their production, and pharmaceuticals containing same SCHERING AKTIENGESELLSCHAFT (DE) 1997-12-02 US disclosed
US-5482700-A Substituted polyamino, polycarboxy complexing agent dimers for MRI and X-ray contrast SCHERING AKTIENGESELLSCHAFT (DE) 1996-01-09 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 (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-11149041-B2 Process for the preparation of gadolinium complex of (4S)-4-(4-ethoxybenzyl)-3,6,9-tris(carboxylatomethyl)-3,6,9-triazaundecanedioic acid disodium (Gadoxetate disodium) CA9, CA4, GLRX3 OPRD1 2524/4885OPRK1 2873/4885OPRM1 2139/4885
US-20200123178-A1 Novel Process for the Preparation of Gadolinium Complex of (4S)-4-(4-Ethoxybenzyl)-3,6,9-Tris(Carboxylatomethyl)-3,6,9-Triazaundecanedioic Acid Disodium (Gadoxetate Disodium) GLRX3, CA9, CA4 OPRD1 2734/4885OPRK1 3179/4885OPRM1 2234/4885

“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.