SCHEMBL436799

SCHEMBL436799

COC(=O)CCOCC(COCCC(=O)OC)(COCCC(=O)OC)NC(=O)NCCOCCNS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.55
MAPT P10636 2/20 0.49
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
USP2 O75604 1/20 0.45
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
FBP1 P09467 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41

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
SCHEMBL13656827 0.91 MAPT (0.54) ALDH1A1MAPTLMNAHPGDHTT
SCHEMBL437829 0.89 ALDH1A1 (0.54) ALDH1A1MAPTLMNAHPGDHTT
SCHEMBL437902 0.82 SMN1; SMN2 (0.44) ALDH1A1HPGDUSP2GAAL3MBTL1
SCHEMBL12723360 0.82 ALDH1A1 (0.51) ALDH1A1MAPTLMNAHPGDGAA
SCHEMBL439133 0.79 ALDH1A1 (0.46) ALDH1A1MAPTLMNAHPGDHTT
SCHEMBL439090 0.79 CYP2C9 (0.45) ALDH1A1MAPTLMNAHPGDHTT
SCHEMBL469020 0.77 ALDH1A1 (0.44) ALDH1A1MAPTHPGDGAAMEN1
SCHEMBL437862 0.77 SMN1; SMN2 (0.47) ALDH1A1LMNAHPGDGAAL3MBTL1
SCHEMBL10107134 0.76 CYP2C9 (0.43) ALDH1A1MAPTHPGDGAAMEN1
SCHEMBL12723337 0.75 MAPT (0.42) ALDH1A1MAPTHPGDGAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9139456-B2 Chelating compounds and immobilized tethered chelators THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) 2015-09-22 US disclosed
US-20120061325-A1 CHELATING COMPOUNDS AND IMMOBILIZED TETHERED CHELATORS THE CURATORS OF THE UNIVERSITY OF MISSOURI 2012-03-15 US disclosed
US-8066883-B2 Removing aluminum from solution using chelating compounds and immobilized tethered chelators UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2011-11-29 US disclosed
US-8066883-B2 Removing aluminum from solution using chelating compounds and immobilized tethered chelators UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2011-11-29 US disclosed
US-20110168636-A1 CHELATING COMPOUNDS AND IMMOBILIZED TETHERED CHELATORS THE CURATORS OF THE UNIVERSITY OF MISSOURI 2011-07-14 US disclosed
US-20110168636-A1 CHELATING COMPOUNDS AND IMMOBILIZED TETHERED CHELATORS THE CURATORS OF THE UNIVERSITY OF MISSOURI 2011-07-14 US disclosed
US-7932326-B2 Chelating compounds and immobilized tethered chelators THE UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2011-04-26 US disclosed
US-20090261043-A1 CHELATING COMPOUNDS AND IMMOBILIZED TETHERED CHELATORS THE CURATORS OF THE UNIVERSITY OF MISSOURI 2009-10-22 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 (2 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-20120061325-A1 CHELATING COMPOUNDS AND IMMOBILIZED TETHERED CHELATORS BTD, TTPA, SLC39A7 ALDH1A1 3904/4885MAPT 2716/4885LMNA 3554/4885
US-20090261043-A1 CHELATING COMPOUNDS AND IMMOBILIZED TETHERED CHELATORS BTD, SLC30A7, SLC39A7 ALDH1A1 3115/4885MAPT 3260/4885LMNA 3626/4885

“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.