SCHEMBL5557209

SCHEMBL5557209

CC1CN(C(=O)O)CCN(C(=O)O)CCN(CC(O)CN(Cc2ccccc2)Cc2ccccc2)CCN1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 4/20 0.39
POLB P06746 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CHRM1 P11229 4/20 0.38
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PDK1 Q15118 1/20 0.37
PDK2 Q15119 1/20 0.37
PDK3 Q15120 1/20 0.37
PDK4 Q16654 1/20 0.37
HSD11B1 P28845 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
AGTR2 P50052 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
SCHEMBL5555282 0.86 ALDH1A1 (0.42) POLBL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL5555228 0.84 ALDH1A1 (0.43) POLBL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL8482735 0.78 TEAD3 (0.43) POLBL3MBTL1PRMT5WDR77ALDH1A1
SCHEMBL5551312 0.77 KDM4E (0.43) POLBL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL8482611 0.76 L3MBTL1 (0.41) POLBL3MBTL1CHRM1ALDH1A1MEN1
SCHEMBL8537608 0.76 L3MBTL1 (0.54) POLBL3MBTL1PRMT5WDR77ALDH1A1
SCHEMBL8560245 0.76 ALDH1A1 (0.43) POLBL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL5557205 0.75 ALDH1A1 (0.46) BACE1POLBL3MBTL1PRMT5WDR77
SCHEMBL8302334 0.75 PIK3CD (0.38) L3MBTL1
SCHEMBL10321592 0.74 ABCB1 (0.56) POLBL3MBTL1CHRM1PRMT5WDR77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7208139-B2 Conducting nuclear spin tomography on a patient who has been administered a cascade polymer complex having complex-forming ligands for imaging of inflammation and/or tumors in the brain SCHERING AG (DE) 2007-04-24 US disclosed
US-20050118105-A1 Conducting nuclear spin tomography on a patient who has been administered a cascade polymer complex having complex-forming ligands for imaging of inflammation and/or tumors in the brain BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-06-02 US disclosed
US-6855309-B2 For use in diagnostics and therapy SCHERING, AG (DE) 2005-02-15 US disclosed
US-20030232017-A1 For use in diagnostics and therapy BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2003-12-18 US disclosed
US-6576222-B2 Complex stability and specificity; NMR contrast media as diagnostic aid for localization of vascular disease SCHERING AKTIENGESELLSCHAFT (DE) 2003-06-10 US disclosed
US-20020068037-A1 Complex stability and specificity; NMR contrast media as diagnostic aid for localization of vascular disease SCHERING AG (DE) 2002-06-06 US disclosed
US-6299859-B1 ADMINISTERING CONTRAST AGENT COMPRISING CASCADE POLYMER COMPLEX AND NUCLEAR MAGNETIC RESONANCE IMAGING TISSUES FOR DIFFERENTIATING ISCHEMIC AND/OR INFRACTED TISSUE FROM NORMAL TISSUES SCHERING AKTIENGESELLSCHAFT (DE) 2001-10-09 US disclosed
US-6193950-B1 FOR DIAGNOSIS AND THERAPY SCHERING AG (DE) 2001-02-27 US disclosed
US-6183724-B1 ADMINISTERING A CONTRAST AGENT FOR NMR IMAGING THE BLOOD VESSELS, SIZE LARGE ENOUGH FOR ITS RETENTION IN THE BLOOD VESSELS AND SMALL ENOUGH FOR ITS EXCRETION SCHERING AKTIENGESELLSCHAFT (DE) 2001-02-06 US disclosed
US-6054117-A NUCLEAR MAGNETIC RESONANCE CONTRAST MEDIA FOR DIAGNOSTICS AND THERAPY; PHYSIOLOGICALLY ACCEPTABLE EXCRETION SCHERING AKTIENGESELLSCHAFT (DE) 2000-04-25 US disclosed
EP-0430863-B2 Complexe builders bonded to sterwise prepared polymers, their complexes and conjugates, process for their preparation and pharmaceutical agents containing the same SCHERING AG (DE) 1999-08-25 EP disclosed
US-5911971-A NMR CONTRAST MEDIA WHICH CAN MARK THE VASAL SPACE (BLOOD POOL AGENT); UNIFORM AND HIGH ENOUGH MOLECULAR WEIGHT TO BE RETAINED IN BLOOD VESSEL BUT SMALL ENOUGH TO BE ELIMINATED BY THE KIDNEY; POLYAMINOAMIDES; MACROMOLECULES SCHERING AKTIENGESELLSCHAFT (DE) 1999-06-15 US disclosed
US-5876698-A Macrocyclic polymer complexing agents, their complexes, process for their production and pharmaceutical agents containing these compounds SCHERING AKTIENGESELLSCHAFT (DE) 1999-03-02 US disclosed
EP-0512661-B1 Macrocyclic polymer-complexing, their complexes, method for their production and pharmaceutical agents containing them SCHERING AG (DE) 1998-01-14 EP disclosed
US-5650136-A Cascade polymer bound complexing compounds, their complexes and conjugates, processes for their production, and pharmaceutical agents containing them SCHERING AKTIENGESELLSCHAFT (DE) 1997-07-22 US disclosed
US-5364614-A Cascade polymer bound chelating compounds, their chelates and conjugates, processes for their production, and pharmaceutical agents containing them SCHERING AKTIENGESELLSCHAFT (DE) 1994-11-15 US disclosed
EP-0512661-A1 Macrocyclic polymer-complexing, their complexes, method for their production and pharmaceutical agents containing them SCHERING AKTIENGESELLSCHAFT (DE) 1992-11-11 EP disclosed
EP-0430863-A2 Complexe builders bonded to sterwise prepared polymers, their complexes and conjugates, process for their preparation and pharmaceutical agents containing the same SCHERING AKTIENGESELLSCHAFT (DE) 1991-06-05 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 (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-20020068037-A1 Complex stability and specificity; NMR contrast media as diagnostic aid for localization of vascular disease CAD, APOB, SLC7A1 BACE1 4115/4885POLB 687/4885L3MBTL1 3653/4885
US-20030232017-A1 For use in diagnostics and therapy TFPI, BCAT2, OAT BACE1 2932/4885POLB 163/4885L3MBTL1 3205/4885
US-20050118105-A1 Conducting nuclear spin tomography on a patient who has been administered a cascade polymer complex having complex-forming ligands for imaging of inflammation and/or tumors in the brain FABP7, SLC1A3, SLC43A1 BACE1 3240/4885POLB 630/4885L3MBTL1 3566/4885

“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.