SCHEMBL5555201

SCHEMBL5555201

CC1CN(C(=O)O)CCN(C(=O)O)CCN(CC(O)COCC(O)CO)CCN1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
KDM4E B2RXH2 4/20 0.42
USP2 O75604 1/20 0.42
ALOX15 P16050 1/20 0.42
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
TDP1 Q9NUW8 1/20 0.35
POLB P06746 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL8560245 0.88 ALDH1A1 (0.43) ALDH1A1KDM4EUSP2ALOX15MEN1
SCHEMBL5557277 0.87 ALDH1A1 (0.46) ALDH1A1KDM4EUSP2ALOX15MEN1
SCHEMBL8481805 0.86 ALDH1A1 (0.48) ALDH1A1KDM4EUSP2ALOX15MEN1
SCHEMBL5551517 0.85 ALDH1A1 (0.45) ALDH1A1KDM4EUSP2ALOX15MEN1
SCHEMBL8559141 0.84 ALDH1A1 (0.52) ALDH1A1KDM4EUSP2ALOX15MEN1
SCHEMBL5551332 0.82 ALDH1A1 (0.42) ALDH1A1KDM4EUSP2ALOX15MEN1
SCHEMBL5551323 0.82 PIK3CD (0.33) ALOX15LMNA
SCHEMBL5551312 0.82 KDM4E (0.43) ALDH1A1KDM4EUSP2ALOX15MEN1
SCHEMBL5555297 0.81 ALDH1A1 (0.41) ALDH1A1KDM4EUSP2ALOX15MEN1
SCHEMBL5555359 0.80 ALDH1A1 (0.41) ALDH1A1KDM4EUSP2ALOX15MEN1

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 26 patents — showing the first 20. 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
EP-0662972-B1 3-,8-SUBSTITUTED DEUTEROPORPHYRINE DERIVATIVES, PHARMACEUTICALS CONTAINING THEM AND METHODS OF PRODUCING THEM DIAGNOSTIKFORSCHUNG INST (DE) 2002-10-30 EP disclosed
US-6451837-B1 Neuroprotective effects of mitogen-activated protein kinase (MAPK) cascade inhibitors BASKYS ANDRIUS (US) 2002-09-17 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
EP-0485045-B1 Mono-N-substituted 1,4,7,10-Tetraazacyclododecan-derivatives, process for their preparation and pharmaceutical agent containing them SCHERING AG (DE) 1998-12-30 EP disclosed
US-5849259-A 3-,8-substituted deuteroporphyrin derivatives, pharmaceutical agents containing the latter and process for their production INSTITUT FUR DIAGNOSTIKFORSCHUNG GMBH (DE) 1998-12-15 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
EP-0662972-A1 3-,8-SUBSTITUTED DEUTEROPORPHYRINE DERIVATIVES, PHARMACEUTICALS CONTAINING THEM AND METHODS OF PRODUCING THEM INSTITUT FÜR DIAGNOSTIKFORSCHUNG GmbH AN DER FREIEN UNIVERSITÄT BERLIN (DE) 1995-07-19 EP 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
WO-1994007894-A1 3-,8-SUBSTITUTED DEUTEROPORPHYRINE DERIVATIVES, PHARMACEUTICALS CONTAINING THEM AND METHODS OF PRODUCING THEM INSTITUT FÜR DIAGNOSTIKFORSCHUNG GMBH (DE) 1994-04-14 WO disclosed
US-5277895-A Nuclear magnetic resonance SCHERING AKTIENGESELLSCHAFT (DE) 1994-01-11 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-0485045-A2 Mono-N-substituted 1,4,7,10-Tetraazacyclododecan-derivatives, process for their preparation and pharmaceutical agent containing them SCHERING AKTIENGESELLSCHAFT (DE) 1992-05-13 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 4688/4885USP2 4755/4885
US-20030232017-A1 For use in diagnostics and therapy TFPI, BCAT2, OAT ALDH1A1 3976/4885KDM4E 4762/4885USP2 4539/4885
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 4731/4885USP2 4682/4885

“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.