SCHEMBL20175937

SCHEMBL20175937

CCCOCN(CCN(CCCCO)Cc1ccccc1C)Cc1ccccc1O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BCHE P06276 7/20 0.40
ACHE P22303 4/20 0.40
MAPT P10636 2/20 0.40
HTR1A P08908 1/20 0.36
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
APP P05067 3/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL20175945 0.99 BCHE (0.42) BCHEACHEMAPTHTR1ANR1H2
SCHEMBL20175940 0.93 BCHE (0.41) BCHEACHEMAPTHTR1ANR1H2
SCHEMBL1387562 0.84 HTR1A (0.49) BCHEACHEMAPTHTR1ANR1H2
SCHEMBL20175944 0.83 MAPT (0.43) BCHEACHEMAPTHTR1ANR1H2
SCHEMBL20175934 0.82 BCHE (0.45) BCHEACHEMAPTHTR1AAPP
SCHEMBL1387560 0.78 HTR1A (0.45) BCHEACHEMAPTHTR1ANR1H2
SCHEMBL20180883 0.78 BCHE (0.43) BCHEACHEHTR1A
SCHEMBL20175936 0.77 MAPT (0.43) BCHEACHEMAPTHTR1AMEN1
SCHEMBL20175939 0.74 MAPT (0.47) BCHEACHEMAPTHTR1AMEN1
SCHEMBL20175943 0.73 MAPT (0.47) BCHEACHEMAPTHTR1AMEN1

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.