SCHEMBL21764601

SCHEMBL21764601

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

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 3/20 0.46
GABRR2 P28476 2/20 0.46
BLM P54132 2/20 0.46
GABRR3 A8MPY1 1/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
APEX1 P27695 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
KDM4E B2RXH2 1/20 0.32
GABBR2 O75899 1/20 0.30
GABBR1 Q9UBS5 1/20 0.30

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
SCHEMBL13254659 0.74 KDM4E (0.31) KDM4E
SCHEMBL20230786 0.74 AKT1 (0.42)
SCHEMBL27770379 0.73 HMGCR (0.31)
SCHEMBL20334583 0.73
SCHEMBL13254660 0.73 HMGCR (0.31)
SCHEMBL28678467 0.72
SCHEMBL14616966 0.71
SCHEMBL17030880 0.71 GABRR1 (0.50) GABRR1GABRR2BLMGABRR3LMNA
SCHEMBL20230787 0.71 PAX8 (0.36)
SCHEMBL17445777 0.70

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10723738-B2 Inhibitors of KRAS G12C mutant proteins ARAXES PHARMA LLC (US) 2020-07-28 US disclosed
US-20200062761-A1 INHIBITORS OF KRAS G12C MUTANT PROTEINS ARAXES PHARMA LLC 2020-02-27 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 (2 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-10723738-B2 Inhibitors of KRAS G12C mutant proteins KRAS, NRAS, HRAS GABRR1 2492/4885GABRR2 3222/4885BLM 1569/4885
US-20200062761-A1 INHIBITORS OF KRAS G12C MUTANT PROTEINS KRAS, NRAS, HRAS GABRR1 2492/4885GABRR2 3222/4885BLM 1569/4885

“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.