SCHEMBL20175936

SCHEMBL20175936

COCN(CCN(CCO)Cc1ccccc1C)Cc1ccccc1O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
HTR1A P08908 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
BCHE P06276 2/20 0.35
ACHE P22303 1/20 0.35
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 2/20 0.33
LMNA P02545 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSP90AA1 P07900 1/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
MAPK1 P28482 1/20 0.33
SLC1A5 Q15758 1/20 0.33
TSHR P16473 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
SCHEMBL20175939 0.86 MAPT (0.47) MAPTHTR1ASMN1; SMN2BCHEACHE
SCHEMBL20175943 0.80 MAPT (0.47) MAPTHTR1ABCHEACHEALDH1A1
SCHEMBL30589673 0.80 SMN1; SMN2 (0.49) HTR1ASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL17264228 0.78 MAPT (0.50) MAPTHTR1ABCHEACHEALDH1A1
SCHEMBL20175937 0.77 BCHE (0.40) MAPTHTR1ABCHEACHEMEN1
SCHEMBL20175944 0.77 MAPT (0.43) MAPTHTR1ABCHEACHEALDH1A1
SCHEMBL20175945 0.77 BCHE (0.42) MAPTHTR1ABCHEACHEMEN1
SCHEMBL20175934 0.76 BCHE (0.45) MAPTHTR1ABCHEACHEALDH1A1
SCHEMBL20175940 0.75 BCHE (0.41) MAPTHTR1ABCHEACHEALDH1A1
SCHEMBL12413219 0.74 MAPT (0.58) MAPTBCHEACHEALDH1A1MEN1

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 MAPT 3805/4885HTR1A 1408/4885SMN1; SMN2 641/4885

“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.