SCHEMBL30764091

SCHEMBL30764091

CCC(C)N(C)C(=O)/C=C/C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 4/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
TSHR P16473 2/20 0.36
TP53 P04637 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
EGLN3 Q9H6Z9 1/20 0.36
NPY5R Q15761 1/20 0.36
ZDHHC20 Q5W0Z9 1/20 0.35
GABRP O00591 2/20 0.34
GABRD O14764 2/20 0.34
GABRA1 P14867 2/20 0.34
GABRB1 P18505 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
GABRA5 P31644 2/20 0.34

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
SCHEMBL30764103 0.82 HCAR2 (0.38) HCAR2ALDH1A1GAACHRNB2CHRNB4
SCHEMBL30764095 0.79 TSHR (0.43) HCAR2ALDH1A1GAACHRNB2CHRNB4
SCHEMBL23667372 0.78 CHRNB2 (0.33) CHRNB2CHRNB4CHRNA3CHRNA4NPY5R
SCHEMBL4732343 0.75 TSHR (0.41) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL969574 0.73
SCHEMBL21891715 0.72 TSHR (0.45) HCAR2ALDH1A1GAATSHRTP53
SCHEMBL27203396 0.72 TSHR (0.45) HCAR2ALDH1A1GAATSHRTP53
SCHEMBL2601906 0.71 TSHR (0.39) HCAR2ALDH1A1GAATSHRTP53
Fumaric Acid SCHEMBL11114498 0.71 TSHR (0.56) HCAR2ALDH1A1GAATSHRTP53
Fumaric Acid SCHEMBL28661687 0.71 TSHR (0.50) HCAR2ALDH1A1GAATSHRTP53

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 HCAR2 332/4885ALDH1A1 263/4885GAA 2039/4885

“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.