SCHEMBL3716929

SCHEMBL3716929

NC(CC(=O)O)(CC(=O)O)C(N)(N)N(CC(=O)O)CC(=O)O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.33
EYA2 O00167 1/20 0.33
APP P05067 1/20 0.33
ACE P12821 1/20 0.33
KDM4E B2RXH2 2/20 0.32
ADRA1A P35348 2/20 0.32
TSHR P16473 2/20 0.32
CYP2C19 P33261 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HMGCR P04035 1/20 0.32
CHRM1 P11229 1/20 0.32
TBXA2R P21731 1/20 0.32
LMNA P02545 1/20 0.32
CHRM2 P08172 1/20 0.32
ADRA2A P08913 1/20 0.32
ALOX15 P16050 1/20 0.32
DRD1 P21728 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
DRD3 P35462 1/20 0.32

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
Edetic Acid SCHEMBL476467 0.90 TDP1 (0.52) TDP1EYA2APPACEKDM4E
SCHEMBL2835844 0.85 EYA2 (0.30) TDP1EYA2APPACE
SCHEMBL6243847 0.80 TDP1 (0.32) TDP1EYA2APPACEKDM4E
SCHEMBL7752680 0.80 TDP1 (0.32) TDP1EYA2APPACEKDM4E
Trimethylammonium SCHEMBL9562223 0.75 HMGCR (0.43) TDP1KDM4EADRA1ATSHRCYP2C19
SCHEMBL26361 0.74 ALDH1A1 (0.45) TDP1KDM4EADRA1ATSHRCYP2C19
Edetic Acid SCHEMBL167680 0.73 TDP1 (0.64) TDP1EYA2APPACEKDM4E
Water SCHEMBL8376690 0.72 ALDH1A1 (0.43) TDP1KDM4EADRA1ATSHRCYP2C19
SCHEMBL17102799 0.72 ALDH1A1 (0.43) TDP1KDM4EADRA1ATSHRCYP2C19
SCHEMBL8765494 0.72 ALDH1A1 (0.43) TDP1KDM4EADRA1ATSHRCYP2C19

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-2411140-B1 PREPARATION OF SHAPED METAL PARTICLES BASF SE (DE) 2017-06-07 EP disclosed
US-8802151-B2 Preparation of shaped metal particles and their uses BASF SE (DE) 2014-08-12 US disclosed
US-20120283336-A1 PREPARATION OF SHAPED METAL PARTICLES AND THEIR USES BASF SE (DE) 2012-11-08 US disclosed
WO-2010108837-A1 PREPARATION OF SHAPED METAL PARTICLES AND THEIR USES BASF SE (DE) 2010-09-30 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-20120283336-A1 PREPARATION OF SHAPED METAL PARTICLES AND THEIR USES PUF60, IK, IMMT TDP1 3423/4885EYA2 4102/4885APP 807/4885

“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.