SCHEMBL18239185

SCHEMBL18239185

CCCOCCNC(=N)NC(C)CC

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 2/20 0.35
EPHX2 P34913 1/20 0.35
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
KDM4E B2RXH2 2/20 0.31
MAPT P10636 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL18239184 0.84 MMP1 (0.40) MEN1KMT2AHSD17B10CA12CA1
SCHEMBL18239187 0.79 MEN1 (0.38) MEN1KMT2AHSD17B10EPHX2TDP1
SCHEMBL17874821 0.76 MEN1 (0.36) MEN1KMT2AHSD17B10EPHX2MAPT
SCHEMBL18239183 0.76 TSHR (0.45) MEN1KMT2AHSD17B10EPHX2MAPT
SCHEMBL18239186 0.73 CA12 (0.38) MEN1KMT2AEPHX2CA12CA1
SCHEMBL19566698 0.71 EPHX2 (0.35) MEN1KMT2AEPHX2
SCHEMBL4109773 0.71 EPHX2 (0.39) MEN1KMT2AHSD17B10EPHX2MAPT
SCHEMBL1274235 0.71 CA12 (0.50) MEN1KMT2AHSD17B10CA12CA1
SCHEMBL18717290 0.70 MEN1 (0.41) MEN1KMT2A
SCHEMBL17874820 0.69 MEN1 (0.42) MEN1KMT2ACA12CA1CA2

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-20160333052-A1 NOVEL CROSS-LINKED PEPTIDES CONTAINING NON-PEPTIDE CROSS-LINKED STRUCTURE, METHOD FOR SYNTHESIZING CROSS-LINKED PEPTIDES, AND NOVEL ORGANIC COMPOUND USED IN METHOD JITSUBO CO., LTD. (JP) 2016-11-17 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-20160333052-A1 NOVEL CROSS-LINKED PEPTIDES CONTAINING NON-PEPTIDE CROSS-LINKED STRUCTURE, METHOD FOR SYNTHESIZING CROSS-LINKED PEPTIDES, AND NOVEL ORGANIC COMPOUND USED IN METHOD NRDC, VIP, NRP1 MEN1 3257/4885KMT2A 3705/4885HSD17B10 3195/4885

“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.