SCHEMBL14338908

SCHEMBL14338908

NCCCCCCN(Cc1cc(-c2cccs2)cc(CN(CC(=O)O)CC(=O)O)n1)Cc1cc(-c2cccs2)cc(CN(CC(=O)O)CC(=O)O)n1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRK6 P43250 2/20 0.36
ALDH1A1 P00352 2/20 0.36
PTPN1 P18031 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SLC6A9 P48067 1/20 0.35
HDAC1 Q13547 2/20 0.35
KDM4E B2RXH2 1/20 0.34
PPARG P37231 1/20 0.34
NCOA2 Q15596 1/20 0.34
NCOA1 Q15788 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
ERN1 O75460 1/20 0.34
MC4R P32245 3/20 0.34
MC5R P33032 3/20 0.34
MC3R P41968 3/20 0.34
HDAC3 O15379 1/20 0.34
HDAC2 Q92769 1/20 0.34
PSMB5 P28074 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
SCHEMBL14350965 0.92 PPARA (0.35) GRK6ALDH1A1MEN1KMT2ASLC6A9
SCHEMBL3646605 0.87 PTPN1 (0.44) GRK6ALDH1A1PTPN1MEN1KMT2A
SCHEMBL14338910 0.81 MAPT (0.38) GRK6ALDH1A1KMT2ASLC6A9HDAC1
SCHEMBL862339 0.78 CXCR4 (0.35) ALDH1A1MEN1KMT2APPARGMC4R
SCHEMBL13601031 0.75 CXCR4 (0.34) PPARGMC4RMC5RMC3R
SCHEMBL13214435 0.71 PPARG (0.34) PPARG
SCHEMBL2474794 0.69 CXCR4 (0.50) KMT2AHDAC1PPARGHDAC3HDAC2
SCHEMBL4094117 0.69 CXCR4 (0.50) KMT2AHDAC1PPARGHDAC3HDAC2
SCHEMBL14721381 0.67 MCL1 (0.48) GRK6ALDH1A1PTPN1MEN1KMT2A
SCHEMBL28810821 0.67 MCL1 (0.48) GRK6ALDH1A1PTPN1MEN1KMT2A

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-20070286810-A1 Nanoparticles comprising lanthanide chelates WALLAC OY (FI) 2007-12-13 US disclosed
US-20070286810-A1 Nanoparticles comprising lanthanide chelates WALLAC OY (FI) 2007-12-13 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-20070286810-A1 Nanoparticles comprising lanthanide chelates CLTA, LASP1, L3MBTL3 GRK6 4647/4885ALDH1A1 4106/4885PTPN1 1459/4885

“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.