SCHEMBL12438474

SCHEMBL12438474

CCN(CCN(CCN(COC=O)CC(=O)O)CC(=O)O)CC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.47
BLM P54132 2/20 0.47
PMP22 Q01453 2/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
CHRM2 P08172 1/20 0.47
ADRA2A P08913 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
DRD1 P21728 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
CYP2C19 P33261 1/20 0.47
ADRA1A P35348 1/20 0.47
DRD3 P35462 1/20 0.47
SLC6A3 Q01959 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
EYA2 O00167 1/20 0.43
APP P05067 1/20 0.43
ACE P12821 1/20 0.43

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
SCHEMBL13555650 0.97 TDP1 (0.47) TDP1BLMPMP22KDM4ELMNA
SCHEMBL19661277 0.90 TDP1 (0.38) TDP1BLMPMP22KDM4ELMNA
SCHEMBL12222314 0.90 TDP1 (0.48) TDP1BLMPMP22KDM4ELMNA
SCHEMBL15249614 0.89 TDP1 (0.54) TDP1BLMPMP22KDM4ELMNA
SCHEMBL13415376 0.87 TDP1 (0.58) TDP1BLMPMP22KDM4ELMNA
SCHEMBL15498539 0.87 TDP1 (0.38) TDP1BLMPMP22KDM4ELMNA
SCHEMBL15498508 0.86 TDP1 (0.37) TDP1BLMPMP22KDM4ELMNA
SCHEMBL13017120 0.85 TDP1 (0.56) TDP1BLMPMP22KDM4ELMNA
SCHEMBL12222325 0.85 TDP1 (0.60) TDP1BLMPMP22KDM4ELMNA
SCHEMBL15498521 0.85 TDP1 (0.36) TDP1BLMPMP22KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9217009-B2 Version of FDG detectable by single-photon emission computed tomography MALLINCKRODT LLC (US) 2015-12-22 US disclosed
US-20140378677-A1 VERSION OF FDG DETECTABLE BY SINGLE-PHOTON EMISSION COMPUTED TOMOGRAPHY MALLINCKRODT VETERINARY, INC. 2014-12-25 US disclosed
US-8858916-B2 Metal chelate linked to a hexose carrier for use as a metallopharmaceutical diagnostic or therapeutic agent MALLINCKRODT LLC (US) 2014-10-14 US disclosed
US-20110177004-A1 Version of FDG Detectable by Single-Photon Emission Computed Tomography OCERA THERAPEUTICS LLC (F/K/A OCERA THERAPEUTICS, INC.) 2011-07-21 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 (2 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-20110177004-A1 Version of FDG Detectable by Single-Photon Emission Computed Tomography SLC2A1, SLC2A4, SLC2A3 TDP1 3943/4885BLM 4052/4885PMP22 4208/4885
US-20140378677-A1 VERSION OF FDG DETECTABLE BY SINGLE-PHOTON EMISSION COMPUTED TOMOGRAPHY SLC2A1, SLC2A4, SLC2A3 TDP1 3943/4885BLM 4052/4885PMP22 4208/4885

“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.