SCHEMBL92706

SCHEMBL92706

CCOc1ccc(CC(CN(CCN(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)N(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACACB O00763 14/20 0.38
ALOX5 P09917 1/20 0.36
NR1D1 P20393 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
PAX8 Q06710 1/20 0.36
ATM Q13315 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL15044629 1.00 ACACB (0.38) ACACBALOX5NR1D1SMN1; SMN2LMNA
SCHEMBL21852438 0.96 MAOB (0.38) ACACBALOX5SMN1; SMN2ALDH1A1
SCHEMBL8668171 0.95 ACACB (0.37) ACACBALOX5NR1D1
SCHEMBL8335482 0.94 ACACB (0.40) ACACBALOX5NR1D1SMN1; SMN2LMNA
SCHEMBL15044628 0.93 ACACB (0.34) ACACBALOX5NR1D1SMN1; SMN2LMNA
SCHEMBL22304893 0.92 LTA4H (0.37) ACACBALOX5ALDH1A1
SCHEMBL7516386 0.91 PTPN1 (0.41) ACACBNR1D1RAB9A
SCHEMBL8099592 0.89 SMN1; SMN2 (0.40) NR1D1SMN1; SMN2ALDH1A1
SCHEMBL21852439 0.88 MAOB (0.35) ACACBALOX5SMN1; SMN2ALDH1A1
SCHEMBL8099090 0.88 SMN1; SMN2 (0.44) ALOX5NR1D1SMN1; SMN2HTTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130158241-A1 Process for Preparing Crystalline 3,6,9-triaza-3,6,9-tris(carboxymethyl)-4-(4-ethoxybenzyl)undecanedioic Acid and Use for Production of Primovist® BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-06-20 US claimed
EP-2580184-A2 PROCESS FOR PREPARING CRYSTALLINE 3,6,9-TRIAZA-3,6,9-TRIS(CARBOXYMETHYL)-4-(4-ETHOXYBENZYL)UNDECANEDIOIC ACID AND USE FOR PRODUCTION OF PRIMOVIST® Bayer Intellectual Property GmbH (DE) 2013-04-17 EP claimed
WO-2011154333-A2 PROCESS FOR PREPARING CRYSTALLINE 3,6,9-TRIAZA-3,6,9-TRIS(CARBOXYMETHYL)-4-(4-ETHOXYBENZYL)UNDECANEDIOIC ACID AND USE FOR PRODUCTION OF PRIMOVIST® BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-15 WO claimed
EP-3464237-B1 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) 2023-12-20 EP disclosed
CN-110101875-B Gadoxetic acid disodium injection pharmaceutical composition and preparation method thereof 四川科伦药物研究院有限公司 2022-08-23 CN disclosed
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
EP-3464237-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) 2019-04-10 EP disclosed
US-20130158241-A1 Process for Preparing Crystalline 3,6,9-triaza-3,6,9-tris(carboxymethyl)-4-(4-ethoxybenzyl)undecanedioic Acid and Use for Production of Primovist® BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-06-20 US disclosed
US-20130158241-A1 Process for Preparing Crystalline 3,6,9-triaza-3,6,9-tris(carboxymethyl)-4-(4-ethoxybenzyl)undecanedioic Acid and Use for Production of Primovist® BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-06-20 US disclosed
CN-103068790-A Process for preparing crystalline 3,6,9-triaza-3,6,9-tris(carboxymethyl)-4-(4-ethoxybenzyl)undecanedioic acid and use for production of primovist tm BAYER IP GMBH 2013-04-24 CN disclosed
EP-2580184-A2 PROCESS FOR PREPARING CRYSTALLINE 3,6,9-TRIAZA-3,6,9-TRIS(CARBOXYMETHYL)-4-(4-ETHOXYBENZYL)UNDECANEDIOIC ACID AND USE FOR PRODUCTION OF PRIMOVIST® Bayer Intellectual Property GmbH (DE) 2013-04-17 EP disclosed
EP-2580184-A2 PROCESS FOR PREPARING CRYSTALLINE 3,6,9-TRIAZA-3,6,9-TRIS(CARBOXYMETHYL)-4-(4-ETHOXYBENZYL)UNDECANEDIOIC ACID AND USE FOR PRODUCTION OF PRIMOVIST® Bayer Intellectual Property GmbH (DE) 2013-04-17 EP disclosed
WO-2011154333-A3 PROCESS FOR PREPARING CRYSTALLINE 3,6,9-TRIAZA-3,6,9-TRIS(CARBOXYMETHYL)-4-(4-ETHOXYBENZYL)UNDECANEDIOIC ACID AND USE FOR PRODUCTION OF PRIMOVIST® BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-02-16 WO disclosed
WO-2011154333-A2 PROCESS FOR PREPARING CRYSTALLINE 3,6,9-TRIAZA-3,6,9-TRIS(CARBOXYMETHYL)-4-(4-ETHOXYBENZYL)UNDECANEDIOIC ACID AND USE FOR PRODUCTION OF PRIMOVIST® BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-15 WO disclosed
WO-2011154333-A2 PROCESS FOR PREPARING CRYSTALLINE 3,6,9-TRIAZA-3,6,9-TRIS(CARBOXYMETHYL)-4-(4-ETHOXYBENZYL)UNDECANEDIOIC ACID AND USE FOR PRODUCTION OF PRIMOVIST® BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-15 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-20130158241-A1 Process for Preparing Crystalline 3,6,9-triaza-3,6,9-tris(carboxymethyl)-4-(4-ethoxybenzyl)undecanedioic Acid and Use for Production of Primovist® POF1B, STT3B, CA9 ACACB 1577/4885ALOX5 1131/4885NR1D1 3891/4885
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 ACACB 3057/4885ALOX5 3249/4885NR1D1 2632/4885
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 ACACB 3088/4885ALOX5 2520/4885NR1D1 2215/4885

“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.