SCHEMBL30764036

SCHEMBL30764036

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

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
TP53 P04637 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
EGLN3 Q9H6Z9 1/20 0.38
ALDH1A1 P00352 1/20 0.36
ZDHHC20 Q5W0Z9 1/20 0.36
CASP1 P29466 1/20 0.34
HCAR2 Q8TDS4 3/20 0.33

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
SCHEMBL15745413 0.81 ZDHHC20 (0.44) TSHRTP53EGLN1EGLN3ALDH1A1
SCHEMBL5176139 0.81 TSHR (0.39) TSHRTP53EGLN1EGLN3ALDH1A1
SCHEMBL21128857 0.81 ZDHHC20 (0.44) TSHRTP53EGLN1EGLN3ALDH1A1
SCHEMBL5175654 0.81 TSHR (0.39) TSHRTP53EGLN1EGLN3ALDH1A1
SCHEMBL13296117 0.81 ZDHHC20 (0.47) TSHRTP53EGLN1EGLN3ALDH1A1
SCHEMBL15804310 0.81 ZDHHC20 (0.44) TSHRTP53EGLN1EGLN3ALDH1A1
SCHEMBL4859222 0.81 TSHR (0.39) TSHRTP53EGLN1EGLN3ALDH1A1
SCHEMBL23424203 0.78 ZDHHC20 (0.49) ALDH1A1ZDHHC20CASP1HCAR2
SCHEMBL21013140 0.78 ZDHHC20 (0.49) ALDH1A1ZDHHC20CASP1HCAR2
SCHEMBL30764070 0.76 ZDHHC20 (0.55) ZDHHC20HCAR2

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-11912831-B2 Hydroxyethylpyrrolidone ethacrylate/glycidyl ethacrylate copolymers ISP INVESTMENTS LLC (US) 2024-02-27 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-11912831-B2 Hydroxyethylpyrrolidone ethacrylate/glycidyl ethacrylate copolymers MMAB, PCNA, HMBS TSHR 4725/4885TP53 520/4885EGLN1 74/4885

“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.