SCHEMBL9760970

SCHEMBL9760970

O=CNC(CO)C(O)CO

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.36
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TDP1 Q9NUW8 1/20 0.33
ADH1B P00325 1/20 0.32
ADH1C P00326 1/20 0.32
ADH1A P07327 1/20 0.32
PAX8 Q06710 1/20 0.32
PNP P00491 4/20 0.30
KDM4E B2RXH2 2/20 0.30
PDE4A P27815 1/20 0.30

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
SCHEMBL18823486 0.78
SCHEMBL18712322 0.78
SCHEMBL18823383 0.78
SCHEMBL28300488 0.77 AKR1B1 (0.38) AKR1B1LMNAL3MBTL1TDP1ADH1B
SCHEMBL10433346 0.75
SCHEMBL6826702 0.75
SCHEMBL19191850 0.75 AKR1B1 (0.32) AKR1B1
SCHEMBL30443114 0.75 AKR1B1 (0.37) AKR1B1PAX8
SCHEMBL1813293 0.70
SCHEMBL6827518 0.70 ADH1B (0.39) ADH1BADH1CADH1APAX8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5073362-A DICARBOXYLIC ACID-BIS(3,5-DICARBAMOYL-2,4,6-TRIIODOANILIDES) AND X-RAY CONTRAST MEDIA CONTAINING THEM SCHERING AKTIENGESELLSCHAFT (DE) 1991-12-17 US claimed
US-8475768-B2 Paramagnetic chelates thereof and their use as contrast agents in magnetic resonance imaging (MRI) GE HEALTHCARE AS (NO) 2013-07-02 US disclosed
US-8475768-B2 Paramagnetic chelates thereof and their use as contrast agents in magnetic resonance imaging (MRI) GE HEALTHCARE AS (NO) 2013-07-02 US disclosed
US-20110200536-A1 CHELATORS, PARAMAGNETIC CHELATES THEREOF AND THEIR USE AS CONTRAST AGENTS IN MAGNETIC RESONANCE IMAGING (MRI) GE HEALTHCARE AS (NO) 2011-08-18 US disclosed
US-20110110865-A1 CHELATROS, PARAMAGNETIC CHELATES THEREOF AND THEIR USE AS CONTRAST AGENTS IN MAGNETIC RESONANCE IMAGING (MRI) GE HEALTHCARE AS (NO) 2011-05-12 US disclosed
US-20110110865-A1 CHELATROS, PARAMAGNETIC CHELATES THEREOF AND THEIR USE AS CONTRAST AGENTS IN MAGNETIC RESONANCE IMAGING (MRI) GE HEALTHCARE AS (NO) 2011-05-12 US disclosed
WO-2009021948-A1 CHELATORS, PARAMAGNETIC CHELATES THEREOF AND THEIR USE AS CONTRAST AGENTS IN MAGNETIC RESONANCE IMAGING (MRI) GE HEALTHCARE AS (NO) 2009-02-19 WO disclosed
WO-2009021947-A1 CHELATORS, PARAMAGNETIC CHELATES THEREOF AND THEIR USE AS CONTRAST AGENTS IN MAGNETIC RESONANCE IMAGING (MRI) GE HEALTHCARE AS (NO) 2009-02-19 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-20110110865-A1 CHELATROS, PARAMAGNETIC CHELATES THEREOF AND THEIR USE AS CONTRAST AGENTS IN MAGNETIC RESONANCE IMAGING (MRI) TSPO, SHROOM3, GLRX3 AKR1B1 3515/4885LMNA 4327/4885L3MBTL1 2031/4885
US-20110200536-A1 CHELATORS, PARAMAGNETIC CHELATES THEREOF AND THEIR USE AS CONTRAST AGENTS IN MAGNETIC RESONANCE IMAGING (MRI) TSPO, PML, AIP AKR1B1 2846/4885LMNA 4069/4885L3MBTL1 2385/4885

“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.