SCHEMBL21980323

SCHEMBL21980323

CC(=O)C([C]=O)CCCCCCCCCN

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 4/20 0.43
CPB2 Q96IY4 6/20 0.42
GSR P00390 1/20 0.41
RNPEP Q9H4A4 1/20 0.39
GNAI3 P08754 1/20 0.37
GNAO1 P09471 1/20 0.37
GNAI1 P63096 1/20 0.37
SIRT6 Q8N6T7 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
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
ALOX15 P16050 1/20 0.35
SLC6A2 P23975 1/20 0.35
RECQL P46063 1/20 0.35
SLC6A3 Q01959 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP2D6 P10635 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
SCHEMBL19124775 1.00 PAOX (0.43) PAOXCPB2GSRRNPEPGNAI3
SCHEMBL10727967 0.98 GSR (0.42) PAOXCPB2GSRRNPEPGNAI3
SCHEMBL4749914 0.83
SCHEMBL11329644 0.82 MAPT (0.48)
SCHEMBL8458707 0.82 MAPT (0.48)
SCHEMBL11331363 0.79 MAPT (0.45)
SCHEMBL7159116 0.78 MEN1 (0.43) PAOXCPB2GSRRNPEPGNAI3
SCHEMBL7293344 0.78 MEN1 (0.43) PAOXCPB2GSRRNPEPGNAI3
SCHEMBL1421942 0.78 MEN1 (0.43) PAOXCPB2GSRRNPEPGNAI3
SCHEMBL7416457 0.75 CPB2 (0.43) PAOXCPB2GSRRNPEPGNAI3

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
US-11458212-B2 Molecular imaging of cancer cells in vivo H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2022-10-04 US claimed
US-20200164093-A1 Molecular Imaging of Cancer Cells In Vivo H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2020-05-28 US claimed

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-11458212-B2 Molecular imaging of cancer cells in vivo MKI67, ANXA4, ANXA3 PAOX 3042/4885CPB2 2072/4885GSR 4262/4885
US-20200164093-A1 Molecular Imaging of Cancer Cells In Vivo MKI67, ANXA4, ANXA3 PAOX 3042/4885CPB2 2072/4885GSR 4262/4885

“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.