SCHEMBL20175938

SCHEMBL20175938

Cc1ccccc1CN(CCC(=O)O)CCN(CO)Cc1ccccc1O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
MAPT P10636 2/20 0.42
ALDH1A1 P00352 5/20 0.41
AKR1B1 P15121 1/20 0.41
HSP90AA1 P07900 1/20 0.40
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
GAA P10253 1/20 0.37
KDM4E B2RXH2 2/20 0.37
HTT P42858 1/20 0.37
HPGD P15428 1/20 0.37
SLC1A5 Q15758 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MEP1B Q16820 1/20 0.36
RECQL P46063 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
SCHEMBL20175935 0.93 BCHE (0.46) BCHEACHEMAPTALDH1A1AKR1B1
SCHEMBL20175931 0.90 ACHE (0.52) BCHEACHEMAPTAKR1B1HSP90AA1
SCHEMBL20175933 0.90 MAPT (0.55) BCHEACHEMAPTAKR1B1HSP90AA1
SCHEMBL20175943 0.88 MAPT (0.47) BCHEACHEMAPTALDH1A1HSP90AA1
SCHEMBL20175939 0.85 MAPT (0.47) BCHEACHEMAPTALDH1A1HSP90AA1
SCHEMBL20175944 0.82 MAPT (0.43) BCHEACHEMAPTALDH1A1HSP90AA1
SCHEMBL20175932 0.81 BCHE (0.47) BCHEACHEMAPTALDH1A1AKR1B1
SCHEMBL20175934 0.81 BCHE (0.45) BCHEACHEMAPTALDH1A1HSP90AA1
SCHEMBL20175928 0.80 ACHE (0.54) BCHEACHEMAPTAKR1B1HSP90AA1
SCHEMBL20180914 0.78 HSPA5 (0.48) AKR1B1KMT2AMEN1MEP1BRECQL

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.