SCHEMBL13695954

SCHEMBL13695954

CCC(=O)NCCOCCOCCN=[N+]=[N-]

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ CRBN Q96SW2 3/20 0.38
▸ RECQL P46063 1/20 0.36
▸ TTR P02766 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ OPRM1 P35372 1/20 0.32
▸ OPRD1 P41143 1/20 0.32
▸ OPRK1 P41145 1/20 0.32
▸ MGMT P16455 1/20 0.31
▸ CA12 O43570 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA4 P22748 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ CA14 Q9ULX7 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
SCHEMBL22957224 1.00 MEN1 (0.41) MEN1KMT2ACRBNRECQLTTR
SCHEMBL13695963 0.88 CASP2 (0.41) MEN1KMT2ACRBNTTRCA12
SCHEMBL30377114 0.88 CASP2 (0.41) MEN1KMT2ACRBNTTRCA12
SCHEMBL17282361 0.87 CRBN (0.41) MEN1KMT2ACRBNTTRSMN1; SMN2
SCHEMBL18886281 0.87 CRBN (0.41) MEN1KMT2ACRBNTTRSMN1; SMN2
SCHEMBL19164024 0.86 CRBN (0.38) MEN1KMT2ACRBNTTRSMN1; SMN2
SCHEMBL24795789 0.85 CRBN (0.38) MEN1KMT2ACRBNTTRSMN1; SMN2
SCHEMBL18886307 0.85 CRBN (0.38) MEN1KMT2ACRBNTTRSMN1; SMN2
SCHEMBL14922170 0.85 CRBN (0.38) MEN1KMT2ACRBNTTRSMN1; SMN2
SCHEMBL23234313 0.85 CRBN (0.38) MEN1KMT2ACRBNTTRSMN1; SMN2

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-8946391-B2 Construction of a multivalent scFv through alkyne-azide 1,3-dipolar cycloaddition THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-02-03 — — US disclosed
US-20090234105-A1 Construction of a Multivalent SCFV Through Alkyne-Azide 1,3-Dipolar Cycloaddition THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-09-17 — — 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-20090234105-A1 Construction of a Multivalent SCFV Through Alkyne-Azide 1,3-Dipolar Cycloaddition LIG3, LIG1, IGSF11 MEN1 2942/4885KMT2A 2978/4885CRBN 97/4885

“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.

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