SCHEMBL5745796

SCHEMBL5745796

CC1C(O)N1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
FUCA1 P04066 2/20 0.46
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
CHRM5 P08912 1/20 0.46
ACHE P22303 1/20 0.46
ABCB1 P08183 1/20 0.42
SIGMAR1 Q99720 1/20 0.41
NOTUM Q6P988 1/20 0.41
ALDH1A1 P00352 1/20 0.41
F2 P00734 1/20 0.40
PLG P00747 1/20 0.40
ELANE P08246 1/20 0.40
CTSG P08311 1/20 0.40
CMA1 P23946 1/20 0.40
CTRC Q99895 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL5744637 0.89 MEN1 (0.43) MAPTMEN1KMT2AFUCA1CHRM2
SCHEMBL15593280 0.85 FUCA1 (0.48) MAPTMEN1KMT2AFUCA1CHRM2
SCHEMBL12855709 0.84 CHRM2 (0.50) MAPTMEN1KMT2ACHRM2CHRM4
SCHEMBL17827258 0.80 CHRM2 (0.47) MAPTMEN1KMT2ACHRM2CHRM4
SCHEMBL5745952 0.80 GAA (0.46) KMT2AACHEALDH1A1ELANESMN1; SMN2
SCHEMBL13889204 0.79 CHRM2 (0.50) MAPTMEN1KMT2AFUCA1CHRM2
SCHEMBL27969697 0.77 MAPT (0.51) MAPTMEN1KMT2AFUCA1CHRM2
SCHEMBL23600202 0.76 MAPT (0.54) MAPTMEN1KMT2AFUCA1CHRM2
SCHEMBL11144165 0.74 ACHE (0.55) MAPTCHRM2CHRM4CHRM5ACHE
SCHEMBL20811168 0.74 CHRM2 (0.55) MAPTFUCA1CHRM2CHRM4CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1288198-B1 PROCESS FOR THE PRODUCTION OF SULFONIC ESTERS KANEKA CORP (JP) 2006-12-20 EP disclosed
US-6992205-B2 Process for the production of sulfonic esters KANEKA CORPORATION (JP) 2006-01-31 US disclosed
US-6864372-B2 Process for the production of sulfonic esters KANEKA CORPORATION (JP) 2005-03-08 US disclosed
US-6794519-B2 Process for the production of sulfonic esters KANEKA CORPORATION (JP) 2004-09-21 US disclosed
US-20030176711-A1 Process for the production of sulfonic esters KANEKA CORPORATION (JP) 2003-09-18 US disclosed
US-20030176713-A1 Reacting an amino alcohol derivative with organic sulfonyl halide in a mixed solvent composed of an aprotic organic solvent and water in presence of a non-water prohibiting inorganic base KANEKA CORPORATION (JP) 2003-09-18 US disclosed
US-20030162966-A1 PROCESS FOR THE PRODUCTION OF SULFONIC ESTERS KANEKA CORPORATION (JP) 2003-08-28 US disclosed
EP-1288198-A1 PROCESS FOR THE PRODUCTION OF SULFONIC ESTERS KANEKA CORPORATION (JP) 2003-03-05 EP 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 (3 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-20030162966-A1 PROCESS FOR THE PRODUCTION OF SULFONIC ESTERS TST, STS, SELENOI MAPT 4202/4885MEN1 3090/4885KMT2A 2831/4885
US-20030176711-A1 Process for the production of sulfonic esters TST, STS, SELENOI MAPT 4202/4885MEN1 3090/4885KMT2A 2831/4885
US-20030176713-A1 Reacting an amino alcohol derivative with organic sulfonyl halide in a mixed solvent composed of an aprotic organic solvent and water in presence of a non-water prohibiting inorganic base BRAF, ADH1C, TST MAPT 4003/4885MEN1 3048/4885KMT2A 2133/4885

“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.