SCHEMBL21990555

SCHEMBL21990555

CCCCCCCCN(CCCCCCCC)CCCCCCCC.O=S(=O)(O)C=Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BCHE P06276 10/20 0.49
ACHE P22303 8/20 0.49
EGFR P00533 1/20 0.48
ICMT O60725 2/20 0.47
ALB P02768 2/20 0.47
KCNH2 Q12809 3/20 0.43
DRD2 P14416 1/20 0.43
OPRM1 P35372 1/20 0.43
DRD3 P35462 1/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43

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
SCHEMBL21990529 1.00 BCHE (0.49) BCHEACHEEGFRICMTALB
SCHEMBL4016548 0.94 BCHE (0.50) BCHEACHEEGFRDRD2OPRM1
SCHEMBL7949065 0.90 EGFR (0.47) BCHEACHEEGFR
Tetrabuthylammonium SCHEMBL5893078 0.82 EGFR (0.47) EGFR
SCHEMBL8685616 0.82 DNM1 (0.48) EGFRKCNH2DRD2DRD3OPRK1
SCHEMBL9548468 0.82 DNM1 (0.48) EGFRKCNH2DRD2DRD3OPRK1
SCHEMBL5274183 0.82 EGFR (0.47) EGFRKCNH2DRD2DRD3OPRK1
SCHEMBL7945375 0.82 NPC1 (0.47) BCHEACHE
SCHEMBL28285936 0.81 EGFR (0.48) EGFR
Alcohol SCHEMBL29033352 0.80 HTT (0.46)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11459410-B2 High-purity amphipathic arylsulfonic acid amine salt vinyl monomer and copolymer thereof TOSOH FINECHEM CORPORATION (JP) 2022-10-04 US disclosed
CN-110997631-B High purity amphiphilic arylsulfonic acid amine salt vinyl monomers and (co) polymers thereof 东曹精细化工株式会社 2022-07-15 CN disclosed
EP-3666753-A1 HIGH-PURITY AMPHIPATHIC ARYLSULFONIC ACID AMINE SALT VINYL MONOMER AND COPOLYMER THEREOF Tosoh Finechem Corporation (JP) 2020-06-17 EP disclosed
US-20200172643-A1 HIGH-PURITY AMPHIPATHIC ARYLSULFONIC ACID AMINE SALT VINYL MONOMER AND COPOLYMER THEREOF TOSOH FINECHEM CORPORATION (JP) 2020-06-04 US disclosed
CN-110997631-A High purity amphiphilic arylsulfonic acid amine salt vinyl monomers and (co) polymers thereof 东曹精细化工株式会社 2020-04-10 CN 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 (2 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-11459410-B2 High-purity amphipathic arylsulfonic acid amine salt vinyl monomer and copolymer thereof SLC7A1, ARSA, STS BCHE 3885/4885ACHE 4621/4885EGFR 628/4885
US-20200172643-A1 HIGH-PURITY AMPHIPATHIC ARYLSULFONIC ACID AMINE SALT VINYL MONOMER AND COPOLYMER THEREOF SLC7A1, ARSA, STS BCHE 3885/4885ACHE 4621/4885EGFR 628/4885

“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.