SCHEMBL8058784

SCHEMBL8058784

CNCCN(CCNC)CCC(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
MAPK1 P28482 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
LMNA P02545 2/20 0.45
HTT P42858 1/20 0.43
LTA4H P09960 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
MAPT P10636 2/20 0.42
POLB P06746 1/20 0.42
CCR6 P51684 1/20 0.42
PAX8 Q06710 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HPGD P15428 2/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL5214847 0.85 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1LMNAHTT
SCHEMBL5019149 0.84 HDAC3 (0.50) ALDH1A1MAPK1L3MBTL1LMNAHTT
SCHEMBL14439282 0.84 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1LMNAKMT2A
Hydrochloric Acid SCHEMBL5214845 0.83 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1LMNAHTT
SCHEMBL25770524 0.82 ALDH1A1 (0.45) ALDH1A1MAPK1L3MBTL1LMNAHTT
SCHEMBL23205643 0.82 ALDH1A1 (0.54) ALDH1A1MAPK1L3MBTL1LMNASMN1; SMN2
SCHEMBL17787475 0.82 LTA4H (0.56) ALDH1A1MAPK1L3MBTL1LMNAHTT
SCHEMBL19862469 0.82 ALDH1A1 (0.54) ALDH1A1MAPK1L3MBTL1LMNAHTT
SCHEMBL8047038 0.81 SYK (0.51) ALDH1A1MAPK1L3MBTL1LMNAHTT
SCHEMBL3628803 0.81 SYK (0.51) ALDH1A1MAPK1L3MBTL1LMNAHTT

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 4 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-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 (2 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 ALDH1A1 4848/4885MAPK1 2622/4885L3MBTL1 1784/4885
US-20050074411-A1 Peptide-based multimeric targeted contrast agents NGLY1, IAPP, NPPA ALDH1A1 4848/4885MAPK1 2622/4885L3MBTL1 1784/4885

“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.