SCHEMBL5744765

SCHEMBL5744765

CC1C(O)N1C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
ALOX15 P16050 1/20 0.35
ESR1 P03372 2/20 0.34
ESR2 Q92731 2/20 0.34
CYP3A4 P08684 2/20 0.34
MAPK1 P28482 2/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
KCNN4 O15554 4/20 0.33
KMT2A Q03164 2/20 0.33
CHRM3 P20309 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C19 P33261 2/20 0.32
CYP2D6 P10635 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HIF1A Q16665 1/20 0.32
TSHR P16473 2/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL5745360 0.89 CYP2D6 (0.39) MAPK1KCNN4KMT2ACHRM3CYP2C19
SCHEMBL5742592 0.80 GAA (0.42) ALDH1A1MAPK1KMT2AMAPTCYP2C19
SCHEMBL5196336 0.76 MAPT (0.37) ALDH1A1ALOX15KCNN4KMT2ACHRM3
SCHEMBL5195703 0.76 MAPT (0.37) ALDH1A1ALOX15KCNN4KMT2ACHRM3
SCHEMBL5743664 0.72 MAPT (0.36) ALDH1A1ALOX15CHRM3MAPTCYP2C19
SCHEMBL30775651 0.71 SSTR4 (0.36) ALDH1A1KCNN4KMT2AMAPTCYP2C19
SCHEMBL6036537 0.71 KCNN4 (0.43) ALDH1A1CYP3A4MAPK1KCNN4KMT2A
SCHEMBL18649120 0.71 KCNN4 (0.43) ALDH1A1CYP3A4MAPK1KCNN4KMT2A
SCHEMBL15668593 0.71 KCNN4 (0.43) ALDH1A1CYP3A4MAPK1KCNN4KMT2A
SCHEMBL15668595 0.71 KCNN4 (0.43) ALDH1A1CYP3A4MAPK1KCNN4KMT2A

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 ALDH1A1 646/4885ALOX15 4247/4885ESR1 2062/4885
US-20030176711-A1 Process for the production of sulfonic esters TST, STS, SELENOI ALDH1A1 646/4885ALOX15 4247/4885ESR1 2062/4885
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 ALDH1A1 498/4885ALOX15 4477/4885ESR1 2206/4885

“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.