SCHEMBL15831762

SCHEMBL15831762

CCN1CCN(COC=O)CCN(COC=O)CCN(CC(C)O)CC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
BRD4 O60885 1/20 0.34
HSD17B10 Q99714 1/20 0.33
DRD2 P14416 3/20 0.33
DRD3 P35462 3/20 0.33
TP53 P04637 1/20 0.32
DRD4 P21917 1/20 0.32
SLC6A3 Q01959 1/20 0.32

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
SCHEMBL12221750 0.83 BRD4 (0.34) BRD4HSD17B10DRD2DRD3
SCHEMBL18975217 0.80 DRD2 (0.42) MEN1ALDH1A1KMT2AL3MBTL1DRD2
SCHEMBL763968 0.80 DRD2 (0.42) MEN1ALDH1A1KMT2AL3MBTL1DRD2
SCHEMBL12438440 0.75 HSD17B10 (0.38) MEN1ALDH1A1KMT2AHSD17B10
SCHEMBL12018083 0.75 HSD11B1 (0.31) ALDH1A1
SCHEMBL12018136 0.73 HSD11B1 (0.30)
SCHEMBL12438437 0.72 HSD17B10 (0.35) MEN1ALDH1A1KMT2AHSD17B10
SCHEMBL8860654 0.72 DRD2 (0.47) MEN1KMT2ABRD4DRD2DRD3
SCHEMBL636364 0.72 DRD2 (0.47) MEN1KMT2ABRD4DRD2DRD3
SCHEMBL17996818 0.72 DRD2 (0.47) MEN1KMT2ABRD4DRD2DRD3

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-20140178302-A1 INTEGRIN TARGETED SYNTHETIC LIGANDS FOR DIAGNOSTIC AND THERAPEUTIC APPLICATIONS BRACCO IMAGING S.P.A. (IT) 2014-06-26 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-20140178302-A1 INTEGRIN TARGETED SYNTHETIC LIGANDS FOR DIAGNOSTIC AND THERAPEUTIC APPLICATIONS ITGA2B, ITGB2, ITGB1 MEN1 3824/4885ALDH1A1 3450/4885KMT2A 3272/4885

“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.