SCHEMBL20175933

SCHEMBL20175933

CCN(CCN(CCC(=O)O)Cc1ccccc1C)Cc1ccccc1O

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.55
BCHE P06276 2/20 0.53
ACHE P22303 2/20 0.53
TSHR P16473 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
AKR1B1 P15121 1/20 0.41
HSP90AA1 P07900 1/20 0.40
APP P05067 5/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
NFKB1 P19838 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HTR1A P08908 1/20 0.38
LMNA P02545 1/20 0.38
BLM P54132 1/20 0.38

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
SCHEMBL20175938 0.90 BCHE (0.42) MAPTBCHEACHEMEN1KMT2A
SCHEMBL20175935 0.82 BCHE (0.46) MAPTBCHEACHEMEN1KMT2A
SCHEMBL20175932 0.81 BCHE (0.47) MAPTBCHEACHEMEN1KMT2A
SCHEMBL20175931 0.81 ACHE (0.52) MAPTBCHEACHEAKR1B1HSP90AA1
SCHEMBL20175942 0.80 TSHR (0.59) MAPTBCHEACHETSHRMEN1
SCHEMBL20175928 0.80 ACHE (0.54) MAPTBCHEACHEAKR1B1HSP90AA1
SCHEMBL13051280 0.79 TSHR (0.58) MAPTACHETSHRMEN1KMT2A
SCHEMBL20175903 0.78 MAPT (0.77) MAPTBCHEACHETSHRMEN1
SCHEMBL17264228 0.77 MAPT (0.50) MAPTBCHEACHETSHRMEN1
SCHEMBL20175943 0.76 MAPT (0.47) MAPTBCHEACHETSHRMEN1

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 3805/4885BCHE 1142/4885ACHE 1215/4885

“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.