SCHEMBL5744205

SCHEMBL5744205

CC1CN(C(c2ccccc2)(c2ccccc2)c2ccccc2)CC1O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
CYP2B6 P20813 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CHRM3 P20309 3/20 0.33
LMNA P02545 1/20 0.33
FUCA1 P04066 2/20 0.33
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
SLC18A3 Q16572 1/20 0.31
GBA1 P04062 1/20 0.31
CCR6 P51684 1/20 0.31
KCNH2 Q12809 1/20 0.31
MGAM O43451 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ALOX15 P16050 1/20 0.31
GAA P10253 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 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
SCHEMBL5745632 0.91 CYP2D6 (0.38) MAPTL3MBTL1CHRM3LMNACHRM2
SCHEMBL5746089 0.85 L3MBTL1 (0.38) MAPTCYP2B6ATML3MBTL1CHRM3
SCHEMBL5746039 0.85 MAPT (0.39) MAPTCYP2B6ATML3MBTL1CHRM3
SCHEMBL5742863 0.83 ALDH1A1 (0.39) MAPTL3MBTL1LMNAALDH1A1GAA
SCHEMBL5744686 0.79 LMNA (0.37) MAPTCYP2B6ATML3MBTL1CHRM3
SCHEMBL5744730 0.78 CYP2D6 (0.39) MAPTATML3MBTL1CHRM3LMNA
SCHEMBL5746066 0.78 CYP2D6 (0.39) MAPTATML3MBTL1CHRM3LMNA
SCHEMBL17285465 0.75 CYP2B6 (0.38) CYP2B6ATML3MBTL1CHRM3LMNA
SCHEMBL5743664 0.73 MAPT (0.36) MAPTCYP2B6ATML3MBTL1CHRM3
SCHEMBL5743640 0.72 CYP2D6 (0.41) MAPTATML3MBTL1CHRM3LMNA

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-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-20030176711-A1 Process for the production of sulfonic esters 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 4202/4885CYP2B6 186/4885ATM 1297/4885
US-20030176711-A1 Process for the production of sulfonic esters TST, STS, SELENOI MAPT 4202/4885CYP2B6 186/4885ATM 1297/4885
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 4003/4885CYP2B6 756/4885ATM 894/4885

“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.