SCHEMBL9959538

SCHEMBL9959538

CCCCCCSc1ccccc1CNCCNCc1ccccc1SCCCCCC

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.54
EPHX2 P34913 1/20 0.48
PTGS2 P35354 4/20 0.47
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
CYSLTR2 Q9NS75 1/20 0.42
CYSLTR1 Q9Y271 1/20 0.42
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
NPY1R P25929 1/20 0.40
NPY5R Q15761 1/20 0.40
CA12 O43570 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 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
SCHEMBL27631964 0.86 CHRM2 (0.43) CHRM2EPHX2PTGS2SLC6A4SLC6A3
SCHEMBL27616882 0.78 PTGS2 (0.50) EPHX2PTGS2CYSLTR2CYSLTR1
SCHEMBL1645197 0.77 PTGS2 (0.49) EPHX2PTGS2SLC6A4SLC6A3CYSLTR2
SCHEMBL11751852 0.76 CHRM2 (0.59) CHRM2SLC6A4SLC6A3BCHEACHE
SCHEMBL9285501 0.76 CHRM2 (0.63) CHRM2BCHEACHECA12CA2
SCHEMBL8876620 0.76 PTGS2 (0.51) EPHX2PTGS2CYSLTR2CYSLTR1
SCHEMBL1644440 0.74 SLC6A4 (0.49) PTGS2SLC6A4SLC6A3NPY1R
SCHEMBL27261843 0.74 CYSLTR2 (0.56) EPHX2PTGS2CYSLTR2CYSLTR1
SCHEMBL6065023 0.74 CYSLTR2 (0.56) EPHX2PTGS2CYSLTR2CYSLTR1
SCHEMBL3016133 0.73 PTGS2 (0.46) EPHX2PTGS2CYSLTR2CYSLTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2655303-B1 HYDROGENATION OF ESTERS OR CARBONYL GROUPS WITH TETRADENTATE AMINO/IMINO-THIOETHER BASED RUTHENIUM COMPLEXES FIRMENICH & CIE (CH) 2017-02-22 EP claimed
EP-2655303-A1 HYDROGENATION OF ESTERS OR CARBONYL GROUPS WITH TETRADENTATE AMINO/IMINO-THIOETHER BASED RUTHENIUM COMPLEXES Firmenich SA (CH) 2013-10-30 EP claimed
US-20130274487-A1 HYDROGENATION OF ESTERS OR CARBONYL GROUPS WITH TETRADENTATE AMINO/IMINO-THIOETHER BASED RUTHENIUM COMPLEXES FIRMENICH SA (CH) 2013-10-17 US claimed
WO-2012084810-A1 HYDROGENATION OF ESTERS OR CARBONYL GROUPS WITH TETRADENTATE AMINO/IMINO-THIOETHER BASED RUTHENIUM COMPLEXES FIRMENICH SA (CH) 2012-06-28 WO claimed
EP-2655303-B1 HYDROGENATION OF ESTERS OR CARBONYL GROUPS WITH TETRADENTATE AMINO/IMINO-THIOETHER BASED RUTHENIUM COMPLEXES FIRMENICH & CIE (CH) 2017-02-22 EP disclosed
US-8614345-B2 Hydrogenation of esters or carbonyl groups with tetradentate amino/imino-thioether based ruthenium complexes FIRMENICH SA (CH) 2013-12-24 US disclosed
EP-2655303-A1 HYDROGENATION OF ESTERS OR CARBONYL GROUPS WITH TETRADENTATE AMINO/IMINO-THIOETHER BASED RUTHENIUM COMPLEXES Firmenich SA (CH) 2013-10-30 EP disclosed
US-20130274487-A1 HYDROGENATION OF ESTERS OR CARBONYL GROUPS WITH TETRADENTATE AMINO/IMINO-THIOETHER BASED RUTHENIUM COMPLEXES FIRMENICH SA (CH) 2013-10-17 US disclosed
WO-2012084810-A1 HYDROGENATION OF ESTERS OR CARBONYL GROUPS WITH TETRADENTATE AMINO/IMINO-THIOETHER BASED RUTHENIUM COMPLEXES FIRMENICH SA (CH) 2012-06-28 WO 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 (1 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-20130274487-A1 HYDROGENATION OF ESTERS OR CARBONYL GROUPS WITH TETRADENTATE AMINO/IMINO-THIOETHER BASED RUTHENIUM COMPLEXES ADH5, ADH1A, ADH1C CHRM2 1898/4885EPHX2 1214/4885PTGS2 3035/4885

“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.