SCHEMBL21238201

SCHEMBL21238201

C/C=C(/C=C/CN)C(C)=O

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 3/20 0.48
GABRR2 P28476 2/20 0.48
BLM P54132 2/20 0.48
GABRR3 A8MPY1 1/20 0.48
LMNA P02545 1/20 0.48
TSHR P16473 1/20 0.48
APEX1 P27695 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
GABBR2 O75899 1/20 0.31
GABBR1 Q9UBS5 1/20 0.31

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
SCHEMBL18885202 0.81 GABRR1 (0.48) GABRR1GABRR2BLMGABRR3LMNA
SCHEMBL15436791 0.79 GABRR1 (0.41) GABRR1GABRR2BLMGABRR3LMNA
SCHEMBL19074350 0.78 PPARA (0.35) TDP1
SCHEMBL5529299 0.74
SCHEMBL15171201 0.74
SCHEMBL1924283 0.74
Fluoride Ion SCHEMBL14121911 0.72 GABRR1 (0.55) GABRR1GABRR2BLMGABRR3LMNA
SCHEMBL13450488 0.71
SCHEMBL14021800 0.70 ALDH1A1 (0.32) TSHR
Fluoride Ion SCHEMBL14121503 0.70 GABRR1 (0.52) GABRR1GABRR2BLMGABRR3LMNA

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-20190240351-A1 MODIFIED POLYNUCLEOTIDES FOR THE PRODUCTION OF PROTEINS MODERNATX, INC. 2019-08-08 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-20190240351-A1 MODIFIED POLYNUCLEOTIDES FOR THE PRODUCTION OF PROTEINS POLRMT, MSH2, POLN GABRR1 4040/4885GABRR2 3825/4885BLM 347/4885

“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.