SCHEMBL289437

SCHEMBL289437

CC(C)c1[c]c2cc(C(C)C)ccc2cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
TRPA1 O75762 1/20 0.35
PTGS1 P23219 1/20 0.35
CACNA1C Q13936 1/20 0.35
ALDH1A1 P00352 2/20 0.34
HTT P42858 2/20 0.34
UGT2B7 P16662 1/20 0.34
GAA P10253 1/20 0.34
ALOX12 P18054 1/20 0.34
HIF1A Q16665 1/20 0.34
EIF4A3 P38919 2/20 0.34
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
SCN4A P35499 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RNASEH1 O60930 1/20 0.32
TP53 P04637 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL198668 0.75 UGT2B7 (0.36) LMNAUGT2B7ALOX12KDM4EHSD17B10
SCHEMBL28166206 0.71 UGT2B7 (0.41) LMNATRPA1PTGS1CACNA1CALDH1A1
SCHEMBL4832080 0.70 UGT2B7 (0.52) LMNATRPA1PTGS1CACNA1CALDH1A1
SCHEMBL181347 0.70 UGT2B7 (0.58) LMNATRPA1PTGS1CACNA1CALDH1A1
SCHEMBL30031337 0.70 UGT2B7 (0.58) LMNATRPA1PTGS1CACNA1CALDH1A1
SCHEMBL27802183 0.69
SCHEMBL27802215 0.69 CYP2A6 (0.42) ALDH1A1KDM4EMEN1MAPTKMT2A
Water SCHEMBL10391367 0.68 UGT2B7 (0.56) LMNATRPA1PTGS1CACNA1CALDH1A1
Water SCHEMBL9862270 0.68 UGT2B7 (0.56) LMNATRPA1PTGS1CACNA1CALDH1A1
Water SCHEMBL9862280 0.68 UGT2B7 (0.56) LMNATRPA1PTGS1CACNA1CALDH1A1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101970396-B Novel ruthenium complexes as catalysts for metathesis reactions HOFFMANN LA ROCHE 2014-06-18 CN claimed
EP-2276725-B1 NEW RUTHENIUM COMPLEXES AS CATALYSTS FOR METATHESIS REACTIONS HOFFMANN LA ROCHE (CH) 2012-07-04 EP claimed
US-7939668-B2 Ruthenium complexes as catalysts for metathesis reactions ROCHE PALO ALTO LLC (US) 2011-05-10 US claimed
CN-101970396-A Novel ruthenium complexes as catalysts for metathesis reactions HOFFMANN LA ROCHE 2011-02-09 CN claimed
EP-2276725-A1 NEW RUTHENIUM COMPLEXES AS CATALYSTS FOR METATHESIS REACTIONS F. Hoffmann-La Roche AG (CH) 2011-01-26 EP claimed
US-20090275714-A1 New Ruthenium Complexes as Catalysts for Metathesis Reactions ROCHE PALO ALTO LLC 2009-11-05 US claimed
WO-2009124853-A1 NEW RUTHENIUM COMPLEXES AS CATALYSTS FOR METATHESIS REACTIONS F. HOFFMANN-LA ROCHE AG (CH) 2009-10-15 WO claimed
CN-102421786-B The preparation method of ruthenium transposition composite catalyst F. HOFFMANN-LA ROCHE AG (CH) 2016-01-20 CN disclosed
CN-101970396-B Novel ruthenium complexes as catalysts for metathesis reactions HOFFMANN LA ROCHE 2014-06-18 CN disclosed
EP-2427469-B1 PROCESS FOR THE PREPARATION OF RUTHENIUM METATHESIS COMPLEX CATALYSTS HOFFMANN LA ROCHE (CH) 2013-12-11 EP disclosed
US-8288534-B2 Process for the preparation a ruthenium complex ROCHE PALO ALTO LLC (US) 2012-10-16 US disclosed
EP-2276725-B1 NEW RUTHENIUM COMPLEXES AS CATALYSTS FOR METATHESIS REACTIONS HOFFMANN LA ROCHE (CH) 2012-07-04 EP disclosed
CN-102421786-A Process for the preparation of ruthenium metathesis complex catalysts HOFFMANN LA ROCHE 2012-04-18 CN disclosed
US-7939668-B2 Ruthenium complexes as catalysts for metathesis reactions ROCHE PALO ALTO LLC (US) 2011-05-10 US disclosed
CN-101970396-A Novel ruthenium complexes as catalysts for metathesis reactions HOFFMANN LA ROCHE 2011-02-09 CN disclosed
EP-2276725-A1 NEW RUTHENIUM COMPLEXES AS CATALYSTS FOR METATHESIS REACTIONS F. Hoffmann-La Roche AG (CH) 2011-01-26 EP disclosed
WO-2010127964-A1 PROCESS FOR THE PREPARATION OF RUTHENIUM METATHESIS COMPLEX CATALYSTS F. HOFFMANN-LA ROCHE AG (CH) 2010-11-11 WO disclosed
US-20100286403-A1 PROCESS FOR THE PREPARATION A RUTHENIUM COMPLEX ROCHE PALO ALTO LLC 2010-11-11 US disclosed
US-20090275714-A1 New Ruthenium Complexes as Catalysts for Metathesis Reactions ROCHE PALO ALTO LLC 2009-11-05 US disclosed
WO-2009124853-A1 NEW RUTHENIUM COMPLEXES AS CATALYSTS FOR METATHESIS REACTIONS F. HOFFMANN-LA ROCHE AG (CH) 2009-10-15 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 (2 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-20100286403-A1 PROCESS FOR THE PREPARATION A RUTHENIUM COMPLEX CYP3A4, CYP3A5, CYP3A7 LMNA 4104/4885TRPA1 4572/4885PTGS1 1932/4885
US-20090275714-A1 New Ruthenium Complexes as Catalysts for Metathesis Reactions HABP2, CYP3A7, ACE LMNA 4647/4885TRPA1 4467/4885PTGS1 2027/4885

“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.