SCHEMBL5555258

SCHEMBL5555258

CC(C)(C)OC(=O)N(N)C(=O)CCCCCCCCC(=O)N(N)C(=O)OC(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.57
HDAC1 Q13547 1/20 0.57
HDAC2 Q92769 1/20 0.57
CA14 Q9ULX7 3/20 0.34
TDP1 Q9NUW8 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
CHRM2 P08172 2/20 0.31
CHRM4 P08173 2/20 0.31
CHRM5 P08912 2/20 0.31
CHRM1 P11229 2/20 0.31
CHRM3 P20309 2/20 0.31
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31
CA7 P43166 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL8896065 0.93 HDAC6 (0.51) HDAC6HDAC1HDAC2CA14TDP1
SCHEMBL5943153 0.93 HDAC6 (0.51) HDAC6HDAC1HDAC2CA14TDP1
SCHEMBL3884537 0.90 HDAC6 (0.44) HDAC6HDAC1HDAC2CA14NFKB1
SCHEMBL4676227 0.89 HDAC6 (0.46) HDAC6HDAC1HDAC2CA14NFKB1
SCHEMBL27765894 0.89 HDAC6 (0.46) HDAC6HDAC1HDAC2CA14NFKB1
SCHEMBL3884535 0.83 HDAC6 (0.40) HDAC6HDAC1HDAC2CA14NFKB1
SCHEMBL38655032 0.83 HDAC6 (0.42) HDAC6HDAC1HDAC2
SCHEMBL8806268 0.82 HDAC6 (0.41) HDAC6HDAC1HDAC2CA14NFKB1
SCHEMBL1706932 0.79 HDAC6 (0.38) HDAC6HDAC1HDAC2CA14NFKB1
SCHEMBL5580137 0.78 AKT1 (0.39) HDAC6HDAC1HDAC2CA14NFKB1

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 13 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
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-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

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 HDAC6 4006/4885HDAC1 3485/4885HDAC2 4490/4885
US-20030232017-A1 For use in diagnostics and therapy TFPI, BCAT2, OAT HDAC6 2519/4885HDAC1 4180/4885HDAC2 4487/4885
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 HDAC6 3120/4885HDAC1 2056/4885HDAC2 3193/4885

“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.