SCHEMBL9952352

SCHEMBL9952352

CC(C)(C)Sc1cccc(SC(C)(C)C)c1C=O

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.32
ATM Q13315 1/20 0.31
GSTP1 P09211 1/20 0.31
GSTM2 P28161 1/20 0.31

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
SCHEMBL659147 0.87 ERN1 (0.34) MEN1ALDH1A1KMT2ATDP1
SCHEMBL6934720 0.78 AOC3 (0.37) MEN1ALDH1A1KMT2ATDP1L3MBTL1
SCHEMBL3689758 0.77 LMNA (0.48) MEN1ALDH1A1KMT2ATDP1L3MBTL1
SCHEMBL1275599 0.77 GSTP1 (0.34) MEN1ALDH1A1KMT2AL3MBTL1GSTP1
SCHEMBL18699457 0.75 HTR1A (0.45)
SCHEMBL17205034 0.74 MEN1 (0.31) MEN1ALDH1A1KMT2ATDP1
SCHEMBL4065460 0.71 TRIM24 (0.35) MEN1ALDH1A1KMT2AL3MBTL1GSTP1
SCHEMBL10351684 0.70 AOC3 (0.32) MEN1ALDH1A1KMT2AL3MBTL1GSTP1
SCHEMBL7189127 0.70 CETP (0.34) MEN1ALDH1A1KMT2AL3MBTL1GSTP1
SCHEMBL1275601 0.70 GABRA1 (0.42) MEN1ALDH1A1KMT2ATDP1L3MBTL1

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 5 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 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 MEN1 3804/4885ALDH1A1 45/4885KMT2A 504/4885

“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.