SCHEMBL437844

SCHEMBL437844

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.46
ALDH1A1 P00352 3/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.41
NPC1 O15118 7/20 0.40
KMT2A Q03164 2/20 0.40
HDAC1 Q13547 3/20 0.40
HDAC6 Q9UBN7 2/20 0.40
RAB9A P51151 5/20 0.39
ALOX12 P18054 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MEN1 O00255 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HDAC3 O15379 2/20 0.39
HDAC4 P56524 1/20 0.39

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
SCHEMBL439176 0.85 HDAC1 (0.52) TDP1ALDH1A1GAATSHRNPC1
SCHEMBL12759915 0.81 TSHR (0.43) TDP1ALDH1A1GAATSHRNPC1
SCHEMBL437862 0.79 SMN1; SMN2 (0.47) TDP1ALDH1A1GAANPC1KMT2A
SCHEMBL439090 0.78 CYP2C9 (0.45) ALDH1A1GAAKMT2ARAB9ACYP2C9
SCHEMBL985169 0.77 EPHX2 (0.37) TDP1ALDH1A1GAANPC1KMT2A
SCHEMBL439133 0.76 ALDH1A1 (0.46) ALDH1A1GAAKMT2ARAB9ACYP3A4
SCHEMBL10107134 0.76 CYP2C9 (0.43) ALDH1A1GAAKMT2ARAB9ACYP3A4
SCHEMBL26901143 0.75 RAB9A (0.52) TDP1ALDH1A1GAATSHRNPC1
SCHEMBL469020 0.75 ALDH1A1 (0.44) ALDH1A1GAANPC1KMT2ARAB9A
SCHEMBL12723337 0.75 MAPT (0.42) ALDH1A1GAAKMT2ARAB9ACYP3A4

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 7 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-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-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-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 TDP1 2582/4885ALDH1A1 3904/4885GAA 29/4885
US-20090261043-A1 CHELATING COMPOUNDS AND IMMOBILIZED TETHERED CHELATORS BTD, SLC30A7, SLC39A7 TDP1 2118/4885ALDH1A1 3115/4885GAA 83/4885

“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.