SCHEMBL1102344

SCHEMBL1102344

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

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.70
ALOX15 P16050 3/20 0.70
KDM4E B2RXH2 3/20 0.70
BLM P54132 2/20 0.70
PMP22 Q01453 2/20 0.70
TSHR P16473 2/20 0.70
CYP2C19 P33261 2/20 0.70
LMNA P02545 1/20 0.70
CHRM2 P08172 1/20 0.70
ADRA2A P08913 1/20 0.70
DRD1 P21728 1/20 0.70
SLC6A2 P23975 1/20 0.70
SLC6A4 P31645 1/20 0.70
ADRA1A P35348 1/20 0.70
DRD3 P35462 1/20 0.70
SLC6A3 Q01959 1/20 0.70
HRH3 Q9Y5N1 1/20 0.70
EYA2 O00167 1/20 0.65
APP P05067 1/20 0.65
ACE P12821 1/20 0.65

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
SCHEMBL21539376 0.97 TDP1 (0.75) TDP1ALOX15KDM4EBLMPMP22
SCHEMBL6151050 0.97 TDP1 (0.75) TDP1ALOX15KDM4EBLMPMP22
SCHEMBL8988039 0.97 TDP1 (0.68) TDP1ALOX15KDM4EBLMPMP22
SCHEMBL22571480 0.95 TDP1 (0.70) TDP1ALOX15KDM4EBLMPMP22
SCHEMBL18251067 0.95 TDP1 (0.65) TDP1ALOX15KDM4EBLMPMP22
SCHEMBL1698787 0.95 TDP1 (0.74) TDP1ALOX15KDM4EBLMPMP22
SCHEMBL5521524 0.92 TDP1 (0.75) TDP1ALOX15KDM4EBLMPMP22
SCHEMBL19962177 0.92 TDP1 (0.75) TDP1ALOX15KDM4EBLMPMP22
SCHEMBL17022264 0.91 TDP1 (0.58) TDP1ALOX15KDM4EBLMPMP22
SCHEMBL13260725 0.90 TDP1 (0.59) TDP1ALOX15KDM4EBLMPMP22

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
EP-3068443-B1 RESIDUALIZING LINKERS AND USES THEREOF CENTRE FOR PROBE DEV AND COMMERCIALIZATION (CA) 2019-04-10 EP disclosed
US-20160279272-A1 RESIDUALIZING LINKERS AND USES THEREOF CENTRE FOR PROBE DEVELOPMENT AND COMMERCIALIZATION (CA) 2016-09-29 US disclosed
US-8153784-B2 Imaging of enzyme activity THE GENERAL HOSPITAL CORPORATION (US) 2012-04-10 US disclosed
US-20080044827-A1 Imaging of Enzyme Activity NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-02-21 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-20080044827-A1 Imaging of Enzyme Activity GBA3, BCHE, MGAM TDP1 439/4885ALOX15 2020/4885KDM4E 2901/4885
US-20160279272-A1 RESIDUALIZING LINKERS AND USES THEREOF CD44, CD47, MTCL3 TDP1 2242/4885ALOX15 1362/4885KDM4E 937/4885

“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.