SCHEMBL437902

SCHEMBL437902

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.44
NPC1 O15118 6/20 0.41
RAB9A P51151 6/20 0.41
HPGD P15428 3/20 0.38
MEN1 O00255 2/20 0.38
TP53 P04637 2/20 0.38
KMT2A Q03164 2/20 0.38
PPID Q08752 3/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PPIB P23284 1/20 0.38
PPIA P62937 1/20 0.38
PPIG Q13427 1/20 0.38
USP2 O75604 1/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL437862 0.93 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9AHPGDMEN1
SCHEMBL437900 0.91 SMN1; SMN2 (0.41) SMN1; SMN2NPC1RAB9AHPGDMEN1
SCHEMBL436799 0.82 ALDH1A1 (0.55) HPGDMEN1KMT2AALDH1A1GAA
SCHEMBL436814 0.81 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9AHPGDMEN1
SCHEMBL12760553 0.77 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9AHPGDMEN1
SCHEMBL13656827 0.76 MAPT (0.54) SMN1; SMN2HPGDALDH1A1GAAPKM
SCHEMBL439237 0.75 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9AHPGDMEN1
SCHEMBL437844 0.74 TDP1 (0.46) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL440073 0.72 EPHX2 (0.38) HSD17B10
SCHEMBL436883 0.71 TSHR (0.38) MEN1KMT2A

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 2 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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

“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.