SCHEMBL20175934

SCHEMBL20175934

Cc1ccccc1CN(CCCCCCO)CCN(CO)Cc1ccccc1O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BCHE P06276 6/20 0.45
ACHE P22303 3/20 0.45
MAPT P10636 3/20 0.43
HTR1A P08908 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HTT P42858 1/20 0.35
HSP90AA1 P07900 1/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
APP P05067 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
SCHEMBL20175944 0.99 MAPT (0.43) BCHEACHEMAPTHTR1AMEN1
SCHEMBL20175939 0.89 MAPT (0.47) BCHEACHEMAPTHTR1AMEN1
SCHEMBL20175943 0.89 MAPT (0.47) BCHEACHEMAPTHTR1AMEN1
SCHEMBL20180883 0.87 BCHE (0.43) BCHEACHEHTR1AHSD17B10
SCHEMBL20175931 0.87 ACHE (0.52) BCHEACHEMAPTHSP90AA1
SCHEMBL20175945 0.84 BCHE (0.42) BCHEACHEMAPTHTR1AMEN1
SCHEMBL20175935 0.84 BCHE (0.46) BCHEACHEMAPTHTR1AMEN1
SCHEMBL20175937 0.82 BCHE (0.40) BCHEACHEMAPTHTR1AMEN1
SCHEMBL20175940 0.82 BCHE (0.41) BCHEACHEMAPTHTR1AALDH1A1
SCHEMBL20175938 0.81 BCHE (0.42) BCHEACHEMAPTMEN1KMT2A

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-20180140581-A1 METABOLICALLY PROGRAMMED METAL CHELATORS AND USES THEREOF UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2018-05-24 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-20180140581-A1 METABOLICALLY PROGRAMMED METAL CHELATORS AND USES THEREOF FECH, SLC19A1, SLC40A1 BCHE 1142/4885ACHE 1215/4885MAPT 3805/4885

“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.