SCHEMBL469041

SCHEMBL469041

CC(=O)NCCCOCCOCCOCCCNS(=O)(=O)c1ccc(C2CCCC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.48
ALDH1A1 P00352 7/20 0.46
TSHR P16473 1/20 0.46
TP53 P04637 2/20 0.46
MAPT P10636 2/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
LMNA P02545 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
ATM Q13315 1/20 0.42
PKM P14618 1/20 0.41
POLB P06746 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRK1 P41145 1/20 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
SCHEMBL469035 0.91 ALDH1A1 (0.50) ALDH1A1TP53MAPTHPGDHTT
SCHEMBL17089349 0.84 GAA (0.53) GAAALDH1A1TSHRTP53MAPT
SCHEMBL436861 0.83 ALDH1A1 (0.62) GAAALDH1A1TSHRMAPTHPGD
SCHEMBL26154133 0.78 L3MBTL1 (0.60) ALDH1A1TSHRSMN1; SMN2MAPK1L3MBTL1
SCHEMBL23045633 0.75 LMNA (0.52) ALDH1A1TSHRTP53MAPTHPGD
SCHEMBL26154170 0.74 MTNR1A (0.61) GAAALDH1A1TSHRLMNASMN1; SMN2
SCHEMBL31674606 0.73 ALDH1A1 (0.53) GAAALDH1A1TSHRTP53MAPT
SCHEMBL436893 0.71 ALDH1A1 (0.77) ALDH1A1MAPTHPGDHTTLMNA
SCHEMBL21350729 0.71 ALDH1A1 (0.71) ALDH1A1TSHRHTTLMNASMN1; SMN2
SCHEMBL17089350 0.71 F2 (0.42) GAAALDH1A1TSHRTP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 GAA 29/4885ALDH1A1 3904/4885TSHR 571/4885
US-20090261043-A1 CHELATING COMPOUNDS AND IMMOBILIZED TETHERED CHELATORS BTD, SLC30A7, SLC39A7 GAA 83/4885ALDH1A1 3115/4885TSHR 950/4885

“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.