SCHEMBL5555228

SCHEMBL5555228

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

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
KDM4E B2RXH2 3/20 0.43
POLB P06746 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TSHR P16473 1/20 0.38
HSP90AB1 P08238 7/20 0.38
USP2 O75604 2/20 0.37
ALOX15 P16050 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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 0.98 ALDH1A1 (0.42) ALDH1A1KDM4EPOLBL3MBTL1SMN1; SMN2
SCHEMBL5557209 0.84 BACE1 (0.39) ALDH1A1KDM4EPOLBL3MBTL1TDP1
SCHEMBL5551517 0.81 ALDH1A1 (0.45) ALDH1A1KDM4EPOLBL3MBTL1SMN1; SMN2
SCHEMBL5555219 0.79 ALDH1A1 (0.49) ALDH1A1KDM4EPOLBL3MBTL1SMN1; SMN2
SCHEMBL5557277 0.79 ALDH1A1 (0.46) ALDH1A1KDM4EPOLBL3MBTL1SMN1; SMN2
SCHEMBL8560245 0.78 ALDH1A1 (0.43) ALDH1A1KDM4EPOLBL3MBTL1USP2
SCHEMBL5555275 0.77 ALDH1A1 (0.48) ALDH1A1KDM4EPOLBL3MBTL1SMN1; SMN2
SCHEMBL8482735 0.77 TEAD3 (0.43) ALDH1A1POLBL3MBTL1TSHRMEN1
SCHEMBL5555359 0.77 ALDH1A1 (0.41) ALDH1A1KDM4EPOLBL3MBTL1SMN1; SMN2
SCHEMBL5555201 0.76 ALDH1A1 (0.42) ALDH1A1KDM4EPOLBL3MBTL1USP2

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 ALDH1A1 4841/4885KDM4E 4688/4885POLB 687/4885
US-20030232017-A1 For use in diagnostics and therapy TFPI, BCAT2, OAT ALDH1A1 3976/4885KDM4E 4762/4885POLB 163/4885
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 ALDH1A1 4833/4885KDM4E 4731/4885POLB 630/4885

“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.