SCHEMBL12376682

SCHEMBL12376682

C=CC(=O)OCC(=O)Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.46
ELANE P08246 2/20 0.36
KMT2A Q03164 4/20 0.36
PDE6D O43924 1/20 0.36
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 2/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
CYP19A1 P11511 1/20 0.33
EGFR P00533 1/20 0.33
ERBB2 P04626 1/20 0.33

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
SCHEMBL246707 0.85 THRB (0.47) THRBELANEKMT2APDE6DALDH1A1
SCHEMBL12376681 0.81 ELANE (0.48) ELANEKMT2AALDH1A1MEN1GAA
SCHEMBL28644256 0.80 THRB (0.51) THRBELANEKMT2APDE6DALDH1A1
SCHEMBL12038758 0.79 THRB (0.45) THRBKMT2AALDH1A1GAAHPGD
SCHEMBL18258053 0.79 THRB (0.49) THRBKMT2APDE6DALDH1A1GAA
SCHEMBL12376680 0.79 THRB (0.75) THRBKMT2AALDH1A1MEN1HPGD
SCHEMBL20496776 0.77 KMT2A (0.46) THRBKMT2AALDH1A1MEN1HPGD
SCHEMBL18388100 0.75 THRB (0.42) THRBPDE6DGAAHPGD
Trifluoromethanesulfonic Acid SCHEMBL9678941 0.73 THRB (0.38) THRBELANEKMT2APDE6DALDH1A1
SCHEMBL21115717 0.72 THRB (0.49) THRBKMT2APDE6DALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8691490-B2 Sulfonium salt, polymer, method for producing the polymer, resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-04-08 US disclosed
US-20110189607-A1 NOVEL SULFONIUM SALT, POLYMER, METHOD FOR PRODUCING THE POLYMER, RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2011-08-04 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-20110189607-A1 NOVEL SULFONIUM SALT, POLYMER, METHOD FOR PRODUCING THE POLYMER, RESIST COMPOSITION AND PATTERNING PROCESS RPS4Y1, ETV6, RPS4X THRB 3747/4885ELANE 288/4885KMT2A 1677/4885

“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.