SCHEMBL30764099

SCHEMBL30764099

CCCCOc1ccc(NC(=O)/C=C/C(=O)O)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.65
L3MBTL1 Q9Y468 3/20 0.65
MAPT P10636 2/20 0.65
POLB P06746 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
THRB P10828 2/20 0.64
THRA P10827 1/20 0.64
SAE1 Q9UBE0 1/20 0.62
UBA2 Q9UBT2 1/20 0.62
S1PR1 P21453 1/20 0.60
S1PR3 Q99500 1/20 0.60
NMT1 P30419 1/20 0.58
KMT2A Q03164 1/20 0.57
LPAR2 Q9HBW0 2/20 0.57
LPAR3 Q9UBY5 2/20 0.57
LPAR1 Q92633 1/20 0.56
GAA P10253 2/20 0.56
EGFR P00533 1/20 0.56
TDP2 O95551 1/20 0.55
FAAH O00519 2/20 0.54

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
SCHEMBL30764038 0.88 EGFR (0.70) ALDH1A1L3MBTL1MAPTPOLBSMN1; SMN2
SCHEMBL21515119 0.87 ALDH1A1 (0.67) ALDH1A1L3MBTL1MAPTPOLBSMN1; SMN2
SCHEMBL8355871 0.83 HPGD (0.67) ALDH1A1L3MBTL1MAPTPOLBSMN1; SMN2
SCHEMBL8355864 0.83 HPGD (0.67) ALDH1A1L3MBTL1MAPTPOLBSMN1; SMN2
SCHEMBL13381579 0.82 ALDH1A1 (0.69) ALDH1A1L3MBTL1MAPTPOLBSMN1; SMN2
SCHEMBL13618418 0.82 THRA (0.56) ALDH1A1L3MBTL1MAPTPOLBSMN1; SMN2
SCHEMBL7837942 0.82 CNR1 (0.54) L3MBTL1MAPTTHRBTHRASAE1
SCHEMBL5218010 0.81 GAA (0.64) ALDH1A1L3MBTL1MAPTPOLBSMN1; SMN2
SCHEMBL7820872 0.81 THRB (0.89) ALDH1A1L3MBTL1MAPTPOLBTHRB
SCHEMBL7820877 0.81 THRB (0.89) ALDH1A1L3MBTL1MAPTPOLBTHRB

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 ALDH1A1 263/4885L3MBTL1 1589/4885MAPT 1662/4885

“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.