SCHEMBL18614971

SCHEMBL18614971

CC(C)(C)OC(=O)NCCNCCNC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.54
GAA P10253 1/20 0.54
KMT2A Q03164 1/20 0.54
TDP1 Q9NUW8 1/20 0.53
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
EPHX1 P07099 1/20 0.47
CA12 O43570 5/20 0.44
CA1 P00915 5/20 0.44
CA2 P00918 5/20 0.44
CA9 Q16790 5/20 0.44
MALT1 Q9UDY8 1/20 0.41
IDO1 P14902 1/20 0.41
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
BCHE P06276 1/20 0.40
ALDH1A1 P00352 1/20 0.39
GFER P55789 1/20 0.39
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38

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
SCHEMBL1760969 0.94 MEN1 (0.59) MEN1GAAKMT2ATDP1MAOA
SCHEMBL631719 0.92 TDP1 (0.60) MEN1GAAKMT2ATDP1MAOA
SCHEMBL20801639 0.92 TDP1 (0.60) MEN1GAAKMT2ATDP1MAOA
SCHEMBL9998912 0.92 TDP1 (0.60) MEN1GAAKMT2ATDP1MAOA
SCHEMBL30352623 0.89 MEN1 (0.60) MEN1GAAKMT2ATDP1MAOA
SCHEMBL25352372 0.87 TDP1 (0.67) MEN1GAAKMT2ATDP1MAOA
SCHEMBL31181380 0.87 MAOA (0.62) MEN1GAAKMT2ATDP1MAOA
SCHEMBL8821237 0.87 MAOA (0.62) MEN1GAAKMT2ATDP1MAOA
SCHEMBL20425056 0.87 MAOA (0.62) MEN1GAAKMT2ATDP1MAOA
SCHEMBL3020260 0.86 TDP1 (0.70) MEN1GAAKMT2ATDP1MAOA

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-20200261595-A1 Oligomer Extended Insulin-FC Conjugates NOVO NORDISK A/S (DK) 2020-08-20 US disclosed
WO-2017042099-A1 EFFLUX-PUMP INHIBITORS AND THERAPEUTIC USES THEREOF BASILEA PHARMACEUTICA AG (CH) 2017-03-16 WO 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-20200261595-A1 Oligomer Extended Insulin-FC Conjugates IAPP, IDE, INSR MEN1 381/4885GAA 646/4885KMT2A 3689/4885

“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.