SCHEMBL22845688

SCHEMBL22845688

CC(C)(C)c1cc[n+](-c2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 20/20 0.47
▸ ACHE P22303 20/20 0.47

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
SCHEMBL16563233 0.77 KIF11 (0.45) BCHEACHE
Hydrochloric Acid SCHEMBL3136051 0.76 KIF11 (0.48) BCHEACHE
Tert-Butylbenzene SCHEMBL22264599 0.74 MAPK1 (0.55) BCHEACHE
Tert-Butylbenzene SCHEMBL18889 0.74 MAPK1 (0.55) BCHEACHE
Tert-Butylbenzene SCHEMBL22264597 0.74 MAPK1 (0.55) BCHEACHE
Tert-Butylbenzene SCHEMBL2568053 0.74 MAPK1 (0.55) BCHEACHE
Tert-Butylbenzene SCHEMBL337648 0.74 MAPK1 (0.55) BCHEACHE
SCHEMBL5301154 0.73 ACHE (0.50) BCHEACHE
SCHEMBL1108049 0.72 SLC22A2 (0.48) BCHEACHE
Tert-Butylbenzene SCHEMBL7820072 0.72 MAPK1 (0.52) BCHEACHE

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-20200407318-A1 COMPOUND AND DIMER COMPLEX EMBODIMENTS FOR SUPRAMOLECULAR SENSING UVIC INDUSTRY PARTNERSHIPS INC. (CA) 2020-12-31 — — 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-20200407318-A1 COMPOUND AND DIMER COMPLEX EMBODIMENTS FOR SUPRAMOLECULAR SENSING OPRM1, CNR2, CNR1 BCHE 1928/4885ACHE 18/4885

“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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