SCHEMBL5744574

SCHEMBL5744574

OC1CN1C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
ATM Q13315 1/20 0.36
KCNA3 P22001 2/20 0.36
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
FUCA1 P04066 2/20 0.34
MEN1 O00255 1/20 0.34
CYP2D6 P10635 1/20 0.34
HRH1 P35367 1/20 0.34
SCN1A P35498 1/20 0.34
KMT2A Q03164 1/20 0.34
SCN2A Q99250 1/20 0.34
SCN3A Q9NY46 1/20 0.34
CHRM3 P20309 1/20 0.34
TSHR P16473 2/20 0.33
KCNN4 O15554 1/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL5743622 0.87 CYP2D6 (0.42) LMNAL3MBTL1ATMMEN1CYP2D6
SCHEMBL5744427 0.78 NPSR1 (0.43) LMNAL3MBTL1MEN1CYP2D6KMT2A
SCHEMBL5743664 0.78 MAPT (0.36) LMNAL3MBTL1ATMKCNA3FUCA1
SCHEMBL31376861 0.77 L3MBTL1 (0.38) LMNAL3MBTL1ATMCYP11B1CYP11B2
SCHEMBL8290753 0.77 L3MBTL1 (0.38) LMNAL3MBTL1ATMCYP11B1CYP11B2
SCHEMBL28201726 0.77 CYP11B1 (0.39) LMNAL3MBTL1ATMKCNA3CYP11B1
SCHEMBL5744686 0.76 LMNA (0.37) LMNAL3MBTL1ATMKCNA3CYP11B1
SCHEMBL23415503 0.75 LMNA (0.34) LMNAL3MBTL1ATMKCNA3MEN1
SCHEMBL991996 0.75 CHRM2 (0.38) KMT2ACHRM3KEAP1NFE2L2ALDH1A1
SCHEMBL3907228 0.75 LMNA (0.34) LMNAL3MBTL1ATMKCNA3MEN1

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 LMNA 3382/4885L3MBTL1 3101/4885ATM 1297/4885
US-20030176711-A1 Process for the production of sulfonic esters TST, STS, SELENOI LMNA 3382/4885L3MBTL1 3101/4885ATM 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 LMNA 2764/4885L3MBTL1 2186/4885ATM 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.