SCHEMBL20175927

SCHEMBL20175927

CCN(CCN(CC)Cc1cccc(C)c1O)Cc1cccc(C)c1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.56
TSHR P16473 2/20 0.51
EGFR P00533 4/20 0.48
ACHE P22303 2/20 0.47
BCHE P06276 1/20 0.47
ALDH1A1 P00352 3/20 0.46
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C19 P33261 2/20 0.44
NFKB1 P19838 1/20 0.44
HSD17B10 Q99714 1/20 0.44
LMNA P02545 2/20 0.42
BLM P54132 1/20 0.42
MAPK1 P28482 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
THRB P10828 1/20 0.42
APEX1 P27695 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL2247284 0.84 EGFR (0.58) MAPTEGFRACHEBCHEALDH1A1
SCHEMBL20175903 0.82 MAPT (0.77) MAPTTSHRACHEBCHEALDH1A1
SCHEMBL11266199 0.82 GABRA1 (0.56) MAPTTSHRACHEBCHEALDH1A1
SCHEMBL5270137 0.82 EGFR (0.45) MAPTTSHREGFRACHEBCHE
SCHEMBL24129412 0.81 MAPT (0.44) MAPTTSHREGFRACHEBCHE
SCHEMBL8045011 0.79 ALDH1A1 (0.52) MAPTTSHREGFRALDH1A1CYP2C19
SCHEMBL2482413 0.79 ALDH1A1 (0.52) TSHREGFRALDH1A1CYP1A2CYP2D6
SCHEMBL20175942 0.77 TSHR (0.59) MAPTTSHRACHEBCHEALDH1A1
SCHEMBL6914086 0.76 MAPT (0.46) MAPTTSHREGFRACHEALDH1A1
SCHEMBL20470509 0.76 MAPT (0.68) MAPTTSHRACHEBCHEALDH1A1

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 3805/4885TSHR 1059/4885EGFR 1745/4885

“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.