SCHEMBL22967668

SCHEMBL22967668

CN(C)CC1CC1COC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
SLC6A4 P31645 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
SCHEMBL20314462 0.74 ALDH1A1 (0.41) ALDH1A1
SCHEMBL22967661 0.72 ALDH1A1 (0.40) ALDH1A1
SCHEMBL18086916 0.72 ALDH1A1 (0.48) ALDH1A1
SCHEMBL22967647 0.71 SLC6A2 (0.30) SLC6A4
SCHEMBL22970032 0.71
SCHEMBL19958990 0.71 ALDH1A1 (0.43) ALDH1A1
SCHEMBL12526964 0.70
SCHEMBL6138064 0.68 NLRP3 (0.34) ALDH1A1SLC6A4
SCHEMBL19015222 0.67
SCHEMBL16089702 0.67 ALDH1A1 (0.43) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210040089-A1 KRAS MUTANT PROTEIN INHIBITORS JACOBIO PHARMACEUTICALS CO., LTD. 2021-02-11 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-20210040089-A1 KRAS MUTANT PROTEIN INHIBITORS KRAS, NRAS, APC ALDH1A1 3926/4885SLC6A4 4870/4885

“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.