SCHEMBL5552004

SCHEMBL5552004

O=C(O)CCC(C(=O)O)N1CCN(C(CCC(=O)O)C(=O)O)CCN(C(CCC(=O)O)C(=O)O)CCN(C(CCC(=O)O)C(=O)O)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.48
CYP2C19 P33261 1/20 0.45
TET2 Q6N021 3/20 0.44
KDM4A O75164 2/20 0.44
KDM4C Q9H3R0 2/20 0.44
KDM2A Q9Y2K7 2/20 0.44
TET3 O43151 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
GLA P06280 1/20 0.44
POLB P06746 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
HPGD P15428 1/20 0.44
ALOX12 P18054 1/20 0.44
NFKB1 P19838 1/20 0.44
APEX1 P27695 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL31222658 1.00 CYP1A2 (0.48) CYP1A2CYP2C19TET2KDM4AKDM4C
SCHEMBL30141848 1.00 CYP1A2 (0.48) CYP1A2CYP2C19TET2KDM4AKDM4C
SCHEMBL10305355 0.94 CYP1A2 (0.43) CYP1A2CYP2C19TET2KDM4AKDM4C
SCHEMBL14547871 0.94 CYP1A2 (0.43) CYP1A2CYP2C19TET2KDM4AKDM4C
SCHEMBL10830109 0.91 CYP1A2 (0.45) CYP1A2CYP2C19TET2KDM4AKDM4C
SCHEMBL18752953 0.90 CYP1A2 (0.45) CYP1A2CYP2C19TET2KDM4AKDM4C
SCHEMBL22821452 0.90 CYP1A2 (0.45) CYP1A2CYP2C19TET2KDM4AKDM4C
SCHEMBL28297074 0.90 CYP1A2 (0.43) CYP1A2CYP2C19TET2KDM4AKDM4C
SCHEMBL25137272 0.89 ALB (0.43) CYP1A2CYP2C19TET2KDM4AKDM4C
SCHEMBL21447656 0.89 ALB (0.43) CYP1A2CYP2C19TET2KDM4AKDM4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4610269-A1 UROKINASE PLASMINOGEN ACTIVATOR SURFACE RECEPTOR (UPAR) LIGANDS FOR DIAGNOSTIC OR THERAPEUTIC USE 3B Pharmaceuticals GmbH (DE) 2025-09-03 EP disclosed
US-8926945-B2 Compounds comprising a biological target recognizing part, coupled to a signal part capable of complexing gallium GUERBET (FR) 2015-01-06 US disclosed
US-8540966-B2 Contrast agents endowed with high relaxivity BRACCO IMAGING S.P.A. (IT) 2013-09-24 US disclosed
US-8367039-B2 Compounds for the diagnosis of diseases associated with VCAM expression GUERBET (FR) 2013-02-05 US disclosed
US-8367039-B2 Compounds for the diagnosis of diseases associated with VCAM expression GUERBET (FR) 2013-02-05 US disclosed
US-8114863-B2 Compounds comprising short aminoalcohol chains and metal complexes for medical imaging GUERBET (FR) 2012-02-14 US disclosed
US-8114863-B2 Compounds comprising short aminoalcohol chains and metal complexes for medical imaging GUERBET (FR) 2012-02-14 US disclosed
US-20120009124-A1 USE OF BUFFERS FOR RADIONUCLIDE COMPLEXATION GUERBET (FR) 2012-01-12 US disclosed
US-20120009124-A1 USE OF BUFFERS FOR RADIONUCLIDE COMPLEXATION GUERBET (FR) 2012-01-12 US disclosed
US-20110256067-A1 Contrast agents endowed with high relaxivity BRACCO IMAGING SPA (IT) 2011-10-20 US disclosed
US-20090169479-A1 Compounds Comprising Short Aminoalcohol Chains and Metal Complexes for Medical Imgaing GUERBET (FR) 2009-07-02 US disclosed
EP-1765812-B1 CONTRAST AGENTS ENDOWED WITH HIGH RELAXIVITY FOR USE IN MAGNETIC RESONANCE IMAGING (MRI) WHICH CONTAIN A CHELATING MOIETY WITH POLYHYDROXYLATED SUBSTITUENTS BRACCO IMAGING SPA (IT) 2009-04-29 EP disclosed
EP-1786475-B1 1,4-BIS(CARBOXYMETHYL)-6-[BIS(CARBOXYMETHYL)AMINO]-6-METHYL-PERHYDRO-1,4-DIAZEPINE (AAZTA) DERIVATIVES AS LIGANDS IN HIGH RELAXIVITY CONTRAST AGENTS FOR USE IN MAGNETIC RESONANCE IMAGING (MRI) BRACCO IMAGING SPA (IT) 2009-04-29 EP disclosed
US-20070258905-A1 Contrast Agents Endowed with High Relaxivity for Use in Magnetic Resonance Imaging (Mri) Which Contain a Chelating Moiety with Polyhydroxylated Substituents BRACCO IMAGING SPA (IT) 2007-11-08 US disclosed
US-20070258905-A1 Contrast Agents Endowed with High Relaxivity for Use in Magnetic Resonance Imaging (Mri) Which Contain a Chelating Moiety with Polyhydroxylated Substituents BRACCO IMAGING SPA (IT) 2007-11-08 US disclosed
US-20070098643-A1 Oligomers of gadolinium chelates, their applicationascontrast products in magnetic resonance imaging and their synthesis intermediates GUERBET (FR) 2007-05-03 US disclosed
EP-0661279-B1 Polyaminated ligands, metal complexes, process for their preparation and diagnostic and therapeutic applications GUERBET SA (FR) 2001-03-07 EP disclosed
US-5919432-A Polyaminated ligands and metal complexes thereof GUERBET S.A. (FR) 1999-07-06 US disclosed
US-5712389-A Polyaminated ligands and metal complexes thereof GUERBET S.A. (FR) 1998-01-27 US disclosed
EP-0661279-A1 Polyaminated ligands, metal complexes, process for their preparation and diagnostic and therapeutic applications GUERBET S.A. (FR) 1995-07-05 EP 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 (5 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-20110256067-A1 Contrast agents endowed with high relaxivity SLC40A1, SLC67A1, SLC19A1 CYP1A2 2312/4885CYP2C19 4045/4885TET2 3522/4885
US-20120009124-A1 USE OF BUFFERS FOR RADIONUCLIDE COMPLEXATION CA5B, CA3, CA1 CYP1A2 3254/4885CYP2C19 1785/4885TET2 3922/4885
US-20090169479-A1 Compounds Comprising Short Aminoalcohol Chains and Metal Complexes for Medical Imgaing AVPR2, NR2E3, INSR CYP1A2 1370/4885CYP2C19 2714/4885TET2 3485/4885
US-20070098643-A1 Oligomers of gadolinium chelates, their applicationascontrast products in magnetic resonance imaging and their synthesis intermediates MGAT2, MGAT1, MGAT3 CYP1A2 4652/4885CYP2C19 4876/4885TET2 2353/4885
US-20070258905-A1 Contrast Agents Endowed with High Relaxivity for Use in Magnetic Resonance Imaging (Mri) Which Contain a Chelating Moiety with Polyhydroxylated Substituents RXFP1, SLC5A7, SLC40A1 CYP1A2 4225/4885CYP2C19 4771/4885TET2 2155/4885

“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.