SCHEMBL30764103

SCHEMBL30764103

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 7/20 0.38
TSHR P16473 2/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
TP53 P04637 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
EGLN3 Q9H6Z9 1/20 0.38
ZDHHC20 Q5W0Z9 1/20 0.36
GABRP O00591 2/20 0.35
GABRD O14764 2/20 0.35
GABRA1 P14867 2/20 0.35
GABRB1 P18505 2/20 0.35
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
GABRA5 P31644 2/20 0.35
GABRA3 P34903 2/20 0.35
GABRA2 P47869 2/20 0.35
GABRB2 P47870 2/20 0.35
GABRA4 P48169 2/20 0.35
GABRE P78334 2/20 0.35

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
SCHEMBL27203396 0.82 TSHR (0.45) HCAR2TSHRALDH1A1GAATP53
SCHEMBL21891715 0.82 TSHR (0.45) HCAR2TSHRALDH1A1GAATP53
SCHEMBL30764091 0.82 HCAR2 (0.36) HCAR2TSHRALDH1A1GAATP53
SCHEMBL5207475 0.76 CHRNB2 (0.32) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5208815 0.74 CHRNB2 (0.31) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL429457 0.74 TSHR (0.42) TSHRALDH1A1ZDHHC20CHRNB2CHRNB4
SCHEMBL4721437 0.72 FFAR3 (0.33) TSHRTP53
Fumaric Acid SCHEMBL11114498 0.72 TSHR (0.56) HCAR2TSHRALDH1A1GAATP53
Fumaric Acid SCHEMBL28661687 0.72 TSHR (0.50) HCAR2TSHRALDH1A1GAATP53
SCHEMBL10824794 0.71 CHRNB2 (0.38) ALDH1A1GABRPGABRDGABRA1GABRB1

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 332/4885TSHR 4725/4885ALDH1A1 263/4885

“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.