SCHEMBL24822136

SCHEMBL24822136

COc1ccc(B(c2ccc(C)cc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.71
RELA Q04206 1/20 0.56
CA2 P00918 4/20 0.54
CA1 P00915 3/20 0.54
ENPP2 Q13822 1/20 0.54
CA7 P43166 2/20 0.52
CA9 Q16790 2/20 0.52
CA12 O43570 1/20 0.52
CA14 Q9ULX7 1/20 0.52
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 2/20 0.43
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 2/20 0.43
HPGD P15428 1/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 2/20 0.42
TDP1 Q9NUW8 2/20 0.42

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
SCHEMBL812681 0.90 CA1 (0.65) ACHECA2CA1ENPP2CA7
Ammonia Solution, Strong SCHEMBL3457091 0.87 CA1 (0.61) ACHECA2CA1ENPP2CA7
Fluoride SCHEMBL28583831 0.87 CA1 (0.61) ACHECA2CA1ENPP2CA7
SCHEMBL19182839 0.84 ACHE (1.00) ACHERELACA2CA1CA7
SCHEMBL12464 0.84
SCHEMBL13925529 0.84
SCHEMBL24821015 0.83 CA4 (0.62) ACHECA2CA1ENPP2CA7
SCHEMBL24820976 0.83 CA4 (0.62) ACHECA2CA1ENPP2CA7
Methoxymethane SCHEMBL20136157 0.82 ACHE (0.94) ACHERELACA2CA1CA7
Ammonia Solution, Strong SCHEMBL21437378 0.82 ACHE (0.94) ACHERELACA2CA1CA7

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-20220411449-A1 Method for Preparing Heteroleptic Triarylbismuthanes and Compounds Produced by the Same UNIVERSITY OF HAWAII 2022-12-29 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-20220411449-A1 Method for Preparing Heteroleptic Triarylbismuthanes and Compounds Produced by the Same COASY, HAGH, MRM1 ACHE 293/4885RELA 4349/4885CA2 1891/4885

“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.