SCHEMBL1627692

SCHEMBL1627692

NCCNCCNCCC(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
MAPK1 P28482 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
HTT P42858 1/20 0.49
LTA4H P09960 2/20 0.48
EPHX2 P34913 1/20 0.44
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
CCR6 P51684 1/20 0.44
PAX8 Q06710 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL17177605 0.98 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1HTTLTA4H
SCHEMBL13323438 0.91 ALDH1A1 (0.61) ALDH1A1MAPK1L3MBTL1HTTLTA4H
SCHEMBL9219293 0.90 LTA4H (0.50) ALDH1A1MAPK1L3MBTL1HTTLTA4H
SCHEMBL8016082 0.88 CA1 (0.56) ALDH1A1MAPK1L3MBTL1HTTLTA4H
SCHEMBL18515898 0.86 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1HTTLTA4H
SCHEMBL3660419 0.86 HTT (0.56) ALDH1A1MAPK1L3MBTL1HTTLTA4H
SCHEMBL7416290 0.84 CA1 (0.55) ALDH1A1MAPK1L3MBTL1HTTLTA4H
SCHEMBL24984042 0.84 ALDH1A1 (0.54) ALDH1A1MAPK1L3MBTL1HTTLTA4H
SCHEMBL4273875 0.84 LTA4H (0.56) ALDH1A1MAPK1L3MBTL1HTTLTA4H
SCHEMBL958928 0.84 ALDH1A1 (0.66) ALDH1A1MAPK1L3MBTL1LMNAMEN1

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 12 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
EP-1420681-A4 PEPTIDE-BASED MULTIMERIC TARGETED CONTRAST AGENTS EPIX PHARM INC (US) 2009-08-05 EP 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-6991775-B2 Peptide-based multimeric targeted contrast agents EPIX MEDICAL, INC. (US) 2006-01-31 US disclosed
US-20050074411-A1 Peptide-based multimeric targeted contrast agents EPIX MEDICAL, INC. A DELAWARE CORPORATION 2005-04-07 US disclosed
CN-1599577-A Peptide-based multimeric targeted contrast media EPIX MEDICAL INC (US) 2005-03-23 CN disclosed
EP-1420681-A2 PEPTIDE-BASED MULTIMERIC TARGETED CONTRAST AGENTS Epix Medical, Inc. (US) 2004-05-26 EP disclosed
US-20030216320-A1 Peptide-based multimeric targeted contrast agents Factor 1A, LLC 2003-11-20 US disclosed
US-20030180222-A1 Peptide-based multimeric targeted contrast agents EPIX PHARMACEUTICALS, INC. 2003-09-25 US disclosed
WO-2003011115-A2 PEPTIDE-BASED MULTIMERIC TARGETED CONTRAST AGENTS EPIX MEDICAL, INC. (US) 2003-02-13 WO 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 (5 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-20030180222-A1 Peptide-based multimeric targeted contrast agents NGLY1, IAPP, NPPA ALDH1A1 4848/4885MAPK1 2622/4885L3MBTL1 1784/4885
US-20060039861-A1 Peptide-based multimeric targeted contrast agents NGLY1, IAPP, NPPA ALDH1A1 4848/4885MAPK1 2622/4885L3MBTL1 1784/4885
US-20070185311-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
US-20030216320-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.