SCHEMBL20175903

SCHEMBL20175903

CCN(CCN(CC)Cc1ccccc1C)Cc1ccccc1C

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.77
TSHR P16473 2/20 0.61
BCHE P06276 4/20 0.57
ACHE P22303 4/20 0.57
HSD17B10 Q99714 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
NFKB1 P19838 1/20 0.51
CYP2C19 P33261 1/20 0.51
LMNA P02545 1/20 0.50
BLM P54132 1/20 0.50
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.42
TAAR1 Q96RJ0 1/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
MAOB P27338 1/20 0.40
DRD2 P14416 1/20 0.40
DRD1 P21728 1/20 0.40

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
SCHEMBL12677859 0.91 MAPT (0.70) MAPTTSHRBCHEACHEHSD17B10
SCHEMBL18297347 0.89 MAPT (0.68) MAPTTSHRBCHEACHEHSD17B10
SCHEMBL13137718 0.89 MAPT (0.97) MAPTTSHRBCHEACHEHSD17B10
SCHEMBL20470509 0.89 MAPT (0.68) MAPTTSHRBCHEACHEHSD17B10
SCHEMBL12128129 0.86 MAPT (0.64) MAPTTSHRBCHEACHETAAR1
SCHEMBL189440 0.84 MAPT (0.60) MAPTTSHRBCHEACHELMNA
SCHEMBL4201991 0.83 ACHE (0.61) MAPTTSHRBCHEACHEHSD17B10
SCHEMBL20175927 0.82 MAPT (0.56) MAPTTSHRBCHEACHEHSD17B10
Water SCHEMBL20912805 0.82 MAPT (0.58) MAPTTSHRBCHEACHEKMT2A
Bromide SCHEMBL20912804 0.82 MAPT (0.58) MAPTTSHRBCHEACHEKMT2A

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 1059/4885BCHE 1142/4885

“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.