SCHEMBL3226974

SCHEMBL3226974

C=COC(C)(C)C.Pc1ccccc1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ALDH1A1 P00352 2/20 0.31
TSHR P16473 1/20 0.31
ALOX15 P16050 1/20 0.30

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
SCHEMBL49310 0.74
SCHEMBL4521012 0.70 MAPK1 (0.56) MAPK1ALDH1A1TSHRALOX15
SCHEMBL4169444 0.70 MAPK1 (0.44) MAPK1ALDH1A1TSHRALOX15
SCHEMBL3121099 0.68 MAPK1 (0.43) MAPK1ALDH1A1TSHRALOX15
Ethane SCHEMBL4422248 0.68 TSHR (0.41) TDP1ALDH1A1TSHR
Ethane SCHEMBL4423645 0.68
SCHEMBL8671671 0.68
SCHEMBL49436 0.68
Benzene SCHEMBL28128746 0.68 ALDH1A1 (0.43) MAPK1TDP1ALDH1A1TSHRALOX15
Vinyl Ether SCHEMBL27859262 0.66 TDP1 (0.38) TDP1

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-20100063302-A1 CYCLIC SULFONIUM SALT, METHOD FOR PRODUCTION OF CYCLIC SULFONIUM SALT, AND GLYCOSIDASE INHIBITOR TAKANO CO., LTD. (JP) 2010-03-11 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-20100063302-A1 CYCLIC SULFONIUM SALT, METHOD FOR PRODUCTION OF CYCLIC SULFONIUM SALT, AND GLYCOSIDASE INHIBITOR STS, SI, DDOST MAPK1 534/4885TDP1 899/4885ALDH1A1 2612/4885

“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.