SCHEMBL20067033

SCHEMBL20067033

CC(=O)CN(CO)CC(C)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.44
TDP1 Q9NUW8 4/20 0.39
ALDH1A1 P00352 3/20 0.39
LMNA P02545 3/20 0.32
EYA2 O00167 1/20 0.32
APP P05067 1/20 0.32
ACE P12821 1/20 0.32
SLC15A2 Q16348 1/20 0.32
MGAM O43451 1/20 0.30
GAA P10253 1/20 0.30
SI P14410 1/20 0.30
MGAM2 Q2M2H8 1/20 0.30
KDM4E B2RXH2 1/20 0.30
CHRM2 P08172 1/20 0.30
ADRA2A P08913 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
DRD1 P21728 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30

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
SCHEMBL416818 0.93 TRPA1 (0.50) TRPA1TDP1ALDH1A1LMNAEYA2
Ethylene Glycol SCHEMBL6157869 0.90 TRPA1 (0.42) TRPA1TDP1ALDH1A1LMNAEYA2
Water SCHEMBL10942489 0.90 TRPA1 (0.47) TRPA1TDP1ALDH1A1LMNAEYA2
Hydrochloric Acid SCHEMBL4948054 0.90 TRPA1 (0.47) TRPA1TDP1ALDH1A1LMNAEYA2
SCHEMBL16088171 0.81 TDP1 (0.55) TRPA1TDP1ALDH1A1LMNAEYA2
SCHEMBL8535878 0.81 TDP1 (0.55) TRPA1TDP1ALDH1A1LMNAEYA2
Sulfuric Acid SCHEMBL11850568 0.81 TRPA1 (0.40) TRPA1TDP1ALDH1A1
SCHEMBL12085022 0.81 TRPA1 (0.40) TRPA1TDP1ALDH1A1LMNAKDM4E
SCHEMBL3639097 0.80 TDP1 (0.53) TRPA1TDP1ALDH1A1LMNAEYA2
SCHEMBL14526678 0.80 TRPA1 (0.44) TRPA1TDP1ALDH1A1LMNAEYA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180108944-A1 GRAPHENE COMPOUND AND MANUFACTURING METHOD THEREOF, ELECTROLYTE, AND POWER STORAGE DEVICE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2018-04-19 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-20180108944-A1 GRAPHENE COMPOUND AND MANUFACTURING METHOD THEREOF, ELECTROLYTE, AND POWER STORAGE DEVICE ILK, GK, KCNH3 TRPA1 346/4885TDP1 4293/4885ALDH1A1 1003/4885

“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.