SCHEMBL14217848

SCHEMBL14217848

CCCCOC(=O)C(CC(=O)OCc1ccccc1)N1CCN2CCN3CCN(CC1)C23

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.49
MAPK1 P28482 3/20 0.49
MAPT P10636 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
ALDH1A1 P00352 4/20 0.46
TSHR P16473 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
CYP3A4 P08684 1/20 0.46
DRD3 P35462 1/20 0.38
ACE P12821 2/20 0.37
ACE2 Q9BYF1 2/20 0.37
SLC15A1 P46059 1/20 0.37
CCR5 P51681 2/20 0.37
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL14217850 0.85 MAPK1 (0.49) L3MBTL1MAPK1MAPTNPSR1ALDH1A1
SCHEMBL14217849 0.81 MAPK1 (0.45) L3MBTL1MAPK1MAPTNPSR1ALDH1A1
SCHEMBL14190585 0.77 ALDH1A1 (0.36) L3MBTL1MAPK1NPSR1ALDH1A1SLC15A1
SCHEMBL7306613 0.73 ALDH1A1 (0.45) L3MBTL1MAPK1NPSR1ALDH1A1TDP1
SCHEMBL7306627 0.73 ALDH1A1 (0.45) L3MBTL1MAPK1NPSR1ALDH1A1SLC15A1
SCHEMBL15776096 0.72 ALDH1A1 (0.61) L3MBTL1MAPK1NPSR1ALDH1A1TSHR
SCHEMBL1880257 0.71 ALDH1A1 (0.56) L3MBTL1MAPK1ALDH1A1TSHRTDP1
SCHEMBL8930189 0.71 ALDH1A1 (0.66) L3MBTL1MAPK1MAPTALDH1A1TSHR
SCHEMBL6032352 0.71 ALDH1A1 (0.66) L3MBTL1MAPK1MAPTALDH1A1TSHR
SCHEMBL13259771 0.71 ALDH1A1 (0.66) L3MBTL1MAPK1MAPTALDH1A1TSHR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080124270-A1 Compounds Useful as Metal Chelators BRACCO IMAGING S.P.A. (IT) 2008-05-29 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-20080124270-A1 Compounds Useful as Metal Chelators PAICS, PHOSPHO1, PPIP5K2 L3MBTL1 2920/4885MAPK1 3967/4885MAPT 4159/4885

“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.