SCHEMBL22880752

SCHEMBL22880752

CC(C)c1cc(O)cc2cn(C)cc12

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
GABRA1 P14867 3/20 0.31
GABRB1 P18505 3/20 0.31
GABRB2 P47870 1/20 0.31

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
SCHEMBL29303170 0.79 TRPA1 (0.31)
SCHEMBL29303173 0.79 KCNH2 (0.33)
SCHEMBL29303187 0.75 CYP1A2 (0.33) ESR1
SCHEMBL29303775 0.75
SCHEMBL20314885 0.71 MAPT (0.41) CA1CA2ESR1ESR2
SCHEMBL20314890 0.70 LMNA (0.50) ESR1ESR2
SCHEMBL30143439 0.70 ALB (0.38) CA1CA2ESR1ESR2GABRA1
SCHEMBL19067389 0.69 NQO2 (0.55) CA1CA2GABRA1GABRB1GABRB2
SCHEMBL19170572 0.69 GABRA1 (0.40) CA1CA2GABRA1GABRB1GABRB2
SCHEMBL20314903 0.69 CA1 (0.37) CA1CA2ESR1ESR2GABRA1

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-20210009577-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2021-01-14 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-20210009577-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS CA1 2659/4885CA2 2465/4885ESR1 3463/4885

“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.