SCHEMBL22349101

SCHEMBL22349101

CN1C[C@@H](O)C[C@@H]1COC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.39
▸ GAA P10253 2/20 0.32
▸ MGAM O43451 1/20 0.32

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
SCHEMBL22349098 1.00 ALDH1A1 (0.39) ALDH1A1GAAMGAM
SCHEMBL26712232 1.00 ALDH1A1 (0.39) ALDH1A1GAAMGAM
SCHEMBL26712250 1.00 ALDH1A1 (0.39) ALDH1A1GAAMGAM
SCHEMBL26712246 0.82 — —
SCHEMBL26707160 0.79 ALDH1A1 (0.41) ALDH1A1
SCHEMBL26580650 0.79 ALDH1A1 (0.41) ALDH1A1
SCHEMBL26707163 0.79 ALDH1A1 (0.41) ALDH1A1
SCHEMBL25779190 0.79 ALDH1A1 (0.41) ALDH1A1
SCHEMBL26580620 0.79 ALDH1A1 (0.41) ALDH1A1
SCHEMBL25779192 0.79 ALDH1A1 (0.41) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230357233-A1 HETEROARYL COMPOUNDS, PREPARATION METHODS AND USES THEREOF InventisBio Co., Ltd. (CN) 2023-11-09 — — US disclosed
US-11377441-B2 Covalent inhibitors of KRAS ARAXES PHARMA LLC (US) 2022-07-05 — — US disclosed
US-20210024501-A1 COVALENT INHIBITORS OF KRAS ARAXES PHARMA LLC 2021-01-28 — — US disclosed
US-10745385-B2 Covalent inhibitors of KRAS ARAXES PHARMA LLC (US) 2020-08-18 — — 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 (4 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-20210024501-A1 COVALENT INHIBITORS OF KRAS KRAS, NRAS, HRAS ALDH1A1 1640/4885GAA 3195/4885MGAM 2037/4885
US-11377441-B2 Covalent inhibitors of KRAS KRAS, NRAS, HRAS ALDH1A1 1640/4885GAA 3195/4885MGAM 2037/4885
US-10745385-B2 Covalent inhibitors of KRAS KRAS, NRAS, HRAS ALDH1A1 1640/4885GAA 3195/4885MGAM 2037/4885
US-20230357233-A1 HETEROARYL COMPOUNDS, PREPARATION METHODS AND USES THEREOF KRAS, NRAS, HRAS ALDH1A1 1158/4885GAA 3036/4885MGAM 4298/4885

“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.

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