SCHEMBL8045069

SCHEMBL8045069

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

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.38
PAOX Q6QHF9 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
PIK3CD O00329 1/20 0.34
HSD11B1 P28845 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 2/20 0.34
TP53 P04637 1/20 0.34
PKM P14618 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
SCHEMBL8045079 0.81 KDM4E (0.40) KDM4ESMN1; SMN2PIK3CDHSD11B1MEN1
SCHEMBL19629041 0.77 KDM4E (0.40) KDM4ESMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL20621670 0.75 KDM4E (0.39) KDM4ESMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL24036450 0.73 MEN1 (0.39) KDM4EMEN1KMT2AALDH1A1
SCHEMBL14622532 0.72 PAOX (0.52) PAOXSMN1; SMN2HSD11B1MEN1KMT2A
SCHEMBL12850091 0.72 KDM4E (0.37) KDM4ESMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL27781490 0.71 KDM4E (0.50) KDM4ESMN1; SMN2HSD11B1MEN1KMT2A
SCHEMBL3729620 0.69 KDM4E (0.53) KDM4ESMN1; SMN2HSD11B1ALDH1A1TP53
SCHEMBL12605195 0.69 KDM4E (0.53) KDM4ESMN1; SMN2HSD11B1ALDH1A1TP53
SCHEMBL24919016 0.69 OPRM1 (0.38) KDM4ESMN1; SMN2HSD11B1MEN1KMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7927581-B2 For magnetic resonance imaging (MRI); peptide modified at its N- and its C-termini, independently, with a moiety comprising a metal chelate complex; specific binding affinity for fibrin; sufficient half-life in vivo Factor 1A, LLC (US) 2011-04-19 US disclosed
US-20070185311-A1 Peptide-Based Multimeric Targeted Contrast Agents EPIX PHARMACEUTICALS, INC. (US) 2007-08-09 US disclosed
US-7238341-B2 Peptide-based multimeric targeted contrast agents EPIX PHARMACEUTICALS, INC. (US) 2007-07-03 US disclosed
US-20060039861-A1 Peptide-based multimeric targeted contrast agents EPIX MEDICAL, INC., A DELAWARE CORPORATION 2006-02-23 US disclosed
US-20050074411-A1 Peptide-based multimeric targeted contrast agents EPIX MEDICAL, INC. A DELAWARE CORPORATION 2005-04-07 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 (3 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-20060039861-A1 Peptide-based multimeric targeted contrast agents NGLY1, IAPP, NPPA KDM4E 4774/4885PAOX 3776/4885SMN1; SMN2 2475/4885
US-20070185311-A1 Peptide-Based Multimeric Targeted Contrast Agents NGLY1, IAPP, NPPA KDM4E 4774/4885PAOX 3776/4885SMN1; SMN2 2475/4885
US-20050074411-A1 Peptide-based multimeric targeted contrast agents NGLY1, IAPP, NPPA KDM4E 4774/4885PAOX 3776/4885SMN1; SMN2 2475/4885

“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.