SCHEMBL6428430

SCHEMBL6428430

NCCCCCCOC(=O)[C@@H](N)CCC(N)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.46
KMT2A Q03164 2/20 0.46
BLM P54132 1/20 0.46
PMP22 Q01453 1/20 0.46
NOD1 Q9Y239 2/20 0.42
GSR P00390 1/20 0.40
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PLG P00747 1/20 0.35
LMNA P02545 1/20 0.35
THRB P10828 1/20 0.35
SLC6A2 P23975 1/20 0.35
RECQL P46063 1/20 0.35
SLC6A3 Q01959 1/20 0.35
CPB2 Q96IY4 1/20 0.35
DPP4 P27487 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35

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
SCHEMBL28397657 0.85 GSR (0.55) NOD1GSRITGB3ITGA2BCPB2
SCHEMBL7350344 0.85 NOD1 (0.56) ALOX15KMT2ABLMPMP22NOD1
SCHEMBL794471 0.85 NOD1 (0.56) ALOX15KMT2ABLMPMP22NOD1
SCHEMBL7781974 0.85 NOD1 (0.56) ALOX15KMT2ABLMPMP22NOD1
SCHEMBL7781972 0.85 NOD1 (0.56) ALOX15KMT2ABLMPMP22NOD1
SCHEMBL7775113 0.85 NOD1 (0.56) ALOX15KMT2ABLMPMP22NOD1
SCHEMBL7050366 0.85 NOD1 (0.56) ALOX15KMT2ABLMPMP22NOD1
SCHEMBL7780347 0.85 NOD1 (0.56) ALOX15KMT2ABLMPMP22NOD1
SCHEMBL7775110 0.85 NOD1 (0.56) ALOX15KMT2ABLMPMP22NOD1
SCHEMBL27754415 0.85 NOD1 (0.56) ALOX15KMT2ABLMPMP22NOD1

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
WO-2005063304-A2 POLY (L-GLUTAMIC ACID) PARAMAGNETIC MATERIAL COMPLEX AND USE AS A BIODEGRADABLE MRI CONTRAST AGENT BOARD OF REGENTS, THE UNIVERSITY OF TEXAS_SYSTEM (US) 2005-07-14 WO disclosed
US-20050152842-A1 Poly (L-glutamic acid) paramagnetic material complex and use as a biodegradable MRI contrast agent NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-07-14 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-20050152842-A1 Poly (L-glutamic acid) paramagnetic material complex and use as a biodegradable MRI contrast agent TFRC, GRIA3, GLUL ALOX15 2670/4885KMT2A 1341/4885BLM 4259/4885

“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.