SCHEMBL9952004

SCHEMBL9952004

CC(C)(C)Sc1cc(Br)ccc1C=O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.43
CYP2A6 P11509 3/20 0.38
PPARA Q07869 2/20 0.35
PTPN1 P18031 1/20 0.35
PRKDC P78527 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
ALDH1A1 P00352 3/20 0.33
TYR P14679 1/20 0.33
PIM3 Q86V86 2/20 0.32
LMNA P02545 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PIM1 P11309 1/20 0.31
EGFR P00533 1/20 0.31
ERBB2 P04626 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
SCHEMBL1145175 0.86 ERN1 (0.47) ERN1CYP2A6PPARAPTPN1PRKDC
SCHEMBL13437720 0.79 ERN1 (0.47) ERN1CYP2A6PTPN1PRKDCPTGDR2
SCHEMBL15310930 0.79 ALDH1A1 (0.35) ERN1ALDH1A1TYRMEN1KMT2A
SCHEMBL27993122 0.75 ERN1 (0.43) ERN1CYP2A6PTPN1PRKDCPTGDR2
SCHEMBL15310956 0.75 MEN1 (0.42) ERN1PTPN1ALDH1A1LMNAMEN1
SCHEMBL3689758 0.73 LMNA (0.48) ERN1ALDH1A1LMNAMEN1KMT2A
SCHEMBL20607737 0.71 PRKDC (0.42) ERN1PPARAPRKDCALDH1A1TYR
SCHEMBL25216063 0.71 ALDH1A1 (0.49) ERN1ALDH1A1LMNAMEN1KMT2A
SCHEMBL29513843 0.70 PRKDC (0.53) ERN1PTPN1PRKDCALDH1A1LMNA
SCHEMBL28860021 0.70 PRKDC (0.57) ERN1PRKDCALDH1A1LMNAL3MBTL1

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 ERN1 539/4885CYP2A6 2078/4885PPARA 852/4885

“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.