SCHEMBL17972782

SCHEMBL17972782

CCCOCCOCCN(CCN)CC(N)CCCCNC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
GAA P10253 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
CA1 P00915 9/20 0.37
CA2 P00918 9/20 0.37
CA12 O43570 6/20 0.37
CA9 Q16790 6/20 0.37
GNAI3 P08754 1/20 0.34
GNAO1 P09471 1/20 0.34
GNAI1 P63096 1/20 0.34
DPP7 Q9UHL4 1/20 0.33
ATM Q13315 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
RRM1 P23921 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL11990363 0.94 MEN1 (0.44) MEN1KMT2AGAATDP1MAOA
SCHEMBL15739536 0.92 MEN1 (0.41) MEN1KMT2AGAATDP1MAOA
SCHEMBL699048 0.87 MEN1 (0.48) MEN1KMT2AGAATDP1MAOA
SCHEMBL17175570 0.85 MEN1 (0.55) MEN1KMT2AGAATDP1MAOA
SCHEMBL17972765 0.85 TDP1 (0.51) MEN1KMT2AGAATDP1MAOA
SCHEMBL12432862 0.84 MAOA (0.45) MEN1KMT2AGAATDP1MAOA
SCHEMBL19050938 0.82 TDP1 (0.55) MEN1KMT2AGAATDP1MAOA
SCHEMBL17175287 0.81 MEN1 (0.47) MEN1KMT2AGAATDP1MAOA
SCHEMBL15739514 0.78 TDP1 (0.42) MEN1KMT2AGAATDP1MAOA
SCHEMBL15716848 0.78 MEN1 (0.41) MEN1KMT2AGAATDP1MAOA

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-20160221971-A1 DI-MACROCYCLES LUMIPHORE, INC. (US) 2016-08-04 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-20160221971-A1 DI-MACROCYCLES DLD, NDC1, MCL1 MEN1 220/4885KMT2A 4469/4885GAA 2024/4885

“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.