SCHEMBL437862

SCHEMBL437862

COC(=O)CCOCC(COCCC(=O)OC)(COCCC(=O)OC)NC(=O)NCc1ccc(C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.47
NPC1 O15118 6/20 0.46
RAB9A P51151 6/20 0.43
MEN1 O00255 2/20 0.43
TP53 P04637 2/20 0.43
KMT2A Q03164 2/20 0.43
HPGD P15428 2/20 0.43
PKM P14618 3/20 0.42
ALDH1A1 P00352 2/20 0.42
GAA P10253 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
ATM Q13315 1/20 0.41
LMNA P02545 1/20 0.40
PPIB P23284 1/20 0.40
PPIA P62937 1/20 0.40
PPID Q08752 1/20 0.40
PPIG Q13427 1/20 0.40

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
SCHEMBL437902 0.93 SMN1; SMN2 (0.44) SMN1; SMN2NPC1RAB9AMEN1TP53
SCHEMBL436814 0.86 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9AMEN1TP53
SCHEMBL437900 0.84 SMN1; SMN2 (0.41) SMN1; SMN2NPC1RAB9AMEN1TP53
SCHEMBL12760553 0.82 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9AMEN1TP53
SCHEMBL437844 0.79 TDP1 (0.46) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL436799 0.77 ALDH1A1 (0.55) MEN1KMT2AHPGDALDH1A1GAA
SCHEMBL436883 0.77 TSHR (0.38) MEN1KMT2ALMNA
SCHEMBL13656827 0.74 MAPT (0.54) SMN1; SMN2HPGDPKMALDH1A1GAA
SCHEMBL439090 0.72 CYP2C9 (0.45) RAB9AMEN1KMT2AHPGDALDH1A1
SCHEMBL2730689 0.71 SMN1; SMN2 (0.85) SMN1; SMN2NPC1RAB9AMEN1TP53

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 6 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-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 SMN1; SMN2 2888/4885NPC1 4509/4885RAB9A 3996/4885
US-20090261043-A1 CHELATING COMPOUNDS AND IMMOBILIZED TETHERED CHELATORS BTD, SLC30A7, SLC39A7 SMN1; SMN2 3977/4885NPC1 4523/4885RAB9A 4060/4885

“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.