SCHEMBL8535878

SCHEMBL8535878

CC(=O)CN(CC(=O)O)CC(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.55
EYA2 O00167 1/20 0.55
APP P05067 1/20 0.55
ACE P12821 1/20 0.55
TSHR P16473 3/20 0.52
BLM P54132 2/20 0.52
PMP22 Q01453 2/20 0.52
LMNA P02545 2/20 0.52
ALOX15 P16050 2/20 0.52
CYP2C19 P33261 2/20 0.52
DRD3 P35462 2/20 0.52
KDM4E B2RXH2 2/20 0.52
CHRM2 P08172 1/20 0.52
ADRA2A P08913 1/20 0.52
DRD1 P21728 1/20 0.52
SLC6A2 P23975 1/20 0.52
SLC6A4 P31645 1/20 0.52
ADRA1A P35348 1/20 0.52
SLC6A3 Q01959 1/20 0.52
HRH3 Q9Y5N1 1/20 0.52

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
SCHEMBL16088171 1.00 TDP1 (0.55) TDP1EYA2APPACETSHR
SCHEMBL13322095 0.89 TDP1 (0.74) TDP1EYA2APPACETSHR
SCHEMBL13010899 0.89 TDP1 (0.74) TDP1EYA2APPACETSHR
Nitrilotriacetic Acid SCHEMBL7038304 0.88 TDP1 (0.61) TDP1EYA2APPACETSHR
SCHEMBL416818 0.87 TRPA1 (0.50) TDP1EYA2APPACETSHR
SCHEMBL10005587 0.87 TDP1 (0.75) TDP1EYA2APPACETSHR
SCHEMBL3904822 0.87 TDP1 (0.75) TDP1EYA2APPACETSHR
SCHEMBL13201916 0.87 TDP1 (0.75) TDP1EYA2APPACETSHR
SCHEMBL15131038 0.87 TDP1 (0.48) TDP1EYA2APPACETSHR
SCHEMBL13398968 0.87 TDP1 (0.75) TDP1EYA2APPACETSHR

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5821074-A ANALYZING FOR LEAD ABBOTT LABORATORIES (US) 1998-10-13 US claimed
EP-0089136-A2 Oral hygiene products THE PROCTER & GAMBLE COMPANY (US) 1983-09-21 EP claimed
US-4285575-A USING AN ELECTROCHROMIC ELECTROLYTE CONTAINING A CARBOXYLIC-CONTAINING COMPLEXING AGENT, A FERROUS SALT, A METAL SALT, AND A CHROMOGEN; DURABILITY CANON KABUSHIKI KAISHA (JP) 1981-08-25 US claimed
US-4212518-A ELECTROCHROMIC CELL CANON KABUSHIKI KAISHA (JP) 1980-07-15 US claimed
WO-2024016071-A1 RADIOLABELED COMPOUNDS TARGETING THE PROSTATE-SPECIFIC MEMBRANE ANTIGEN PROVINCIAL HEALTH SERVICES AUTHORITY (CA) 2024-01-25 WO disclosed
WO-2023072971-A2 GASTRIC INHIBITORY PEPTIDE RECEPTOR LIGANDS 3B PHARMACEUTICALS GMBH (DE) 2023-05-04 WO disclosed
EP-3434253-B1 DENTAL ALGINATE IMPRESSION MATERIAL G C DENTAL IND CORP (JP) 2022-02-02 EP disclosed
US-20210040244-A1 p-BORONOPHENYLALANINE DERIVATIVE AND COMPOSITION CONTAINING SAME, AND KIT FOR PRODUCING SAID DERIVATIVE AND COMPOSITION TOKYO INSTITUTE OF TECHNOLOGY (JP) 2021-02-11 US disclosed
US-10744071-B2 Dental alginate impression material GC CORPORATION (JP) 2020-08-18 US disclosed
WO-2019163790-A1 p-BORONOPHENYLALANINE DERIVATIVE AND COMPOSITION CONTAINING SAME, AND KIT FOR PRODUCING SAID DERIVATIVE AND COMPOSITION 国立大学法人東京工業大学 2019-08-29 WO disclosed
US-20190076336-A1 DENTAL ALGINATE IMPRESSION MATERIAL GC CORPORATION (JP) 2019-03-14 US disclosed
EP-3434253-A1 ALGINATE IMPRESSION MATERIAL FOR DENTAL USE GC Corporation (JP) 2019-01-30 EP disclosed
WO-1997022346-A2 USE OF SUGAR DERIVATIVES AS ANTIMICROBIAL, ANTIMYCOTIC AND/OR ANTIVIRAL ACTIVE SUBSTANCES BEIERSDORF AG (DE) 1997-06-26 WO disclosed
US-5597702-A ENZYME INHIBITOR ABBOTT LABORATORIES (US) 1997-01-28 US disclosed
EP-0736181-A1 AUTOMATED LEAD ASSAY Abbott Laboratories (US) 1996-10-09 EP disclosed
WO-1995017679-A1 AUTOMATED LEAD ASSAY ABBOTT LABORATORIES (US) 1995-06-29 WO disclosed
US-4285575-A USING AN ELECTROCHROMIC ELECTROLYTE CONTAINING A CARBOXYLIC-CONTAINING COMPLEXING AGENT, A FERROUS SALT, A METAL SALT, AND A CHROMOGEN; DURABILITY CANON KABUSHIKI KAISHA (JP) 1981-08-25 US disclosed
US-4212518-A ELECTROCHROMIC CELL CANON KABUSHIKI KAISHA (JP) 1980-07-15 US disclosed
US-4142061-A FOR STABILIZING COBALT CABONYL CATALYST CHEVRON RESEARCH COMPANY (US) 1979-02-27 US disclosed
US-4096191-A Hydroformylation of olefins using azoxy-dentated ligands CHEVRON RESEARCH COMPANY (US) 1978-06-20 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-20210040244-A1 p-BORONOPHENYLALANINE DERIVATIVE AND COMPOSITION CONTAINING SAME, AND KIT FOR PRODUCING SAID DERIVATIVE AND COMPOSITION KIT, SETD7, PAH TDP1 885/4885EYA2 1695/4885APP 551/4885

“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.