SCHEMBL20438720

SCHEMBL20438720

CCCN(CCC)C(=O)CN(CCCN(CC(=O)C(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C)CC(=O)N(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C)CC(=O)N(CCC)CCC

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.36
DRD2 P14416 3/20 0.35
CA12 O43570 4/20 0.34
CA1 P00915 4/20 0.34
CA2 P00918 3/20 0.34
CA9 Q16790 3/20 0.34
CA7 P43166 1/20 0.34
CA14 Q9ULX7 1/20 0.34
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
CTSK P43235 4/20 0.32
CTSS P25774 2/20 0.32
CKS1B P61024 1/20 0.31
SKP1 P63208 1/20 0.31
SKP2 Q13309 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL20445519 0.96 MEN1 (0.46) MEN1GAAKMT2ATDP1DRD2
SCHEMBL22013304 0.85 TDP1 (0.47) MEN1GAAKMT2ATDP1DRD2
SCHEMBL10050076 0.76 MEN1 (0.44) MEN1GAAKMT2ATDP1DRD2
SCHEMBL20438722 0.75 ACHE (0.38) MEN1GAAKMT2ATDP1DRD2
SCHEMBL20438713 0.72 SIGMAR1 (0.46) MEN1GAAKMT2ATDP1DRD2
SCHEMBL24521650 0.71 CA14 (0.49) MEN1GAAKMT2ATDP1DRD2
SCHEMBL20788025 0.71 TDP1 (0.46) MEN1GAAKMT2ATDP1CA12
SCHEMBL17532673 0.71 TDP1 (0.46) MEN1GAAKMT2ATDP1DRD2
SCHEMBL17452217 0.71 MEN1 (0.42) MEN1GAAKMT2ATDP1DRD2
SCHEMBL10050116 0.71 MEN1 (0.43) MEN1GAAKMT2ATDP1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180214561-A1 EIGHT-ARM POLYETHYLENE GLYCOL DERIVATIVE, PRODUCTION METHOD THEREFOR, AND MODIFIEDBIO-RELATEDSUBSTANCETHEREOF XIAMEN SINOPEG BIOTECH CO., LTD. (CN) 2018-08-02 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-20180214561-A1 EIGHT-ARM POLYETHYLENE GLYCOL DERIVATIVE, PRODUCTION METHOD THEREFOR, AND MODIFIEDBIO-RELATEDSUBSTANCETHEREOF MRPL38, CXCL8, ALG8 MEN1 2488/4885GAA 1062/4885KMT2A 3943/4885

“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.