SCHEMBL786542

SCHEMBL786542

CCC(C(=O)O)N(O)CC(=O)O.[MgH2].[MgH2]

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.32
EYA2 O00167 1/20 0.32
APP P05067 1/20 0.32
ACE P12821 1/20 0.32
FFAR3 O14843 1/20 0.32
ADRA1A P35348 2/20 0.31
DRD3 P35462 2/20 0.31
SLC6A3 Q01959 2/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
CHRM2 P08172 1/20 0.31
ADRA2A P08913 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
DRD1 P21728 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
CYP2C19 P33261 1/20 0.31
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31

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
SCHEMBL11039366 0.98 TDP1 (0.33) TDP1EYA2APPACEFFAR3
SCHEMBL1419033 0.96 TDP1 (0.32) TDP1EYA2APPACEFFAR3
SCHEMBL786771 0.96 TDP1 (0.32) TDP1EYA2APPACEFFAR3
Hydrochloric Acid SCHEMBL10890767 0.94 TDP1 (0.31) TDP1EYA2APPACEFFAR3
Nitrilotriacetic Acid SCHEMBL10898452 0.92 TDP1 (0.39) TDP1EYA2APPACEADRA1A
SCHEMBL3728136 0.79 CHRM1 (0.33) TDP1FFAR3ADRA1ADRD3SLC6A3
SCHEMBL957226 0.77 FFAR3 (0.35) TDP1EYA2APPACEFFAR3
SCHEMBL215964 0.77 FFAR3 (0.35) TDP1EYA2APPACEFFAR3
SCHEMBL20988159 0.75 FFAR3 (0.36) TDP1EYA2APPACEFFAR3
SCHEMBL1745549 0.74 ADRA2A (0.32) TDP1EYA2APPACEFFAR3

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8801962-B2 Chelating agents and methods relating thereto INNOSPEC LIMITED (GB) 2014-08-12 US claimed
US-20120068113-A1 CHELATING AGENTS AND METHODS RELATING THERETO INNOSPEC LIMITED (GB) 2012-03-22 US claimed
EP-2389353-A1 CHELATING AGENTS AND METHODS RELATING THERETO Innospec Limited (GB) 2011-11-30 EP claimed
US-8039831-B2 Electronic device containing semiconductor polymers and corresponding manufacturing process MICRON TECHNOLOGY, INC. 2011-10-18 US claimed
WO-2010084351-A1 CHELATING AGENTS AND METHODS RELATING THERETO INNOSPEC LIMITED (GB) 2010-07-29 WO claimed
US-8801962-B2 Chelating agents and methods relating thereto INNOSPEC LIMITED (GB) 2014-08-12 US disclosed
US-20120068113-A1 CHELATING AGENTS AND METHODS RELATING THERETO INNOSPEC LIMITED (GB) 2012-03-22 US disclosed
EP-2389353-A1 CHELATING AGENTS AND METHODS RELATING THERETO Innospec Limited (GB) 2011-11-30 EP disclosed
US-8039831-B2 Electronic device containing semiconductor polymers and corresponding manufacturing process MICRON TECHNOLOGY, INC. 2011-10-18 US disclosed
WO-2010084351-A1 CHELATING AGENTS AND METHODS RELATING THERETO INNOSPEC LIMITED (GB) 2010-07-29 WO 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-20120068113-A1 CHELATING AGENTS AND METHODS RELATING THERETO SLC30A5, AOC1, SLC25A13 TDP1 1286/4885EYA2 2440/4885APP 4076/4885

“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.