SCHEMBL631279

SCHEMBL631279

C#CCN(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.46
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
CA12 O43570 4/20 0.39
CA1 P00915 4/20 0.39
CA2 P00918 3/20 0.39
CA9 Q16790 3/20 0.39
EPHX1 P07099 1/20 0.39
CKS1B P61024 1/20 0.38
SKP1 P63208 1/20 0.38
SKP2 Q13309 1/20 0.38
CA7 P43166 1/20 0.36
CA14 Q9ULX7 1/20 0.36
KCNQ4 P56696 1/20 0.36
KCNQ5 Q9NR82 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL30116525 0.94 TDP1 (0.49) TDP1MEN1GAAKMT2AMAOA
SCHEMBL12994483 0.88 TDP1 (0.55) TDP1MEN1GAAKMT2AMAOA
SCHEMBL3250569 0.86 TDP1 (0.45) TDP1MEN1GAAKMT2AMAOA
SCHEMBL12482641 0.84 TDP1 (0.56) TDP1MEN1GAAKMT2AMAOA
SCHEMBL26553996 0.82 CTSD (0.41) TDP1MEN1GAAKMT2ACA12
SCHEMBL11346435 0.81 CA12 (0.50) TDP1MEN1GAAKMT2AMAOA
SCHEMBL30097231 0.81 TDP1 (0.43) TDP1MEN1GAAKMT2AMAOA
SCHEMBL4558897 0.80 TDP1 (0.49) TDP1MEN1GAAKMT2AMAOA
SCHEMBL270450 0.80 TDP1 (0.51) TDP1MEN1GAAKMT2AMAOA
SCHEMBL24029769 0.79 CHRM2 (0.40) TDP1MEN1GAAKMT2AMAOA

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-20120129919-A1 POLYCATIONIC AMPHIPHILIC CYCLOOLIGOSACCHARIDES AND THE USE THEREOF AS MOLECULAR TRANSPORTERS UNIVERSIDAD DE GRANADA (ES) 2012-05-24 US disclosed
EP-2420518-A1 POLYCATIONIC AMPHIPHILIC CYCLOOLIGOSACCHARIDES AND THE USE THEREOF AS MOLECULAR TRANSPORTERS Consejo Superior de Investigaciones Científicas (CSIC) (ES) 2012-02-22 EP 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-20120129919-A1 POLYCATIONIC AMPHIPHILIC CYCLOOLIGOSACCHARIDES AND THE USE THEREOF AS MOLECULAR TRANSPORTERS SLC47A2, SLC47A1, SLC16A7 TDP1 3766/4885MEN1 3016/4885GAA 72/4885

“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.