SCHEMBL289668

SCHEMBL289668

C=CCc1ccccc1OC(C)C(=O)OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 4/20 0.49
ADRB2 P07550 3/20 0.49
ADRB1 P08588 3/20 0.49
HTR1A P08908 3/20 0.49
LMNA P02545 3/20 0.49
KCNH2 Q12809 2/20 0.49
ADRB3 P13945 1/20 0.49
SLC6A2 P23975 1/20 0.49
BDKRB2 P30411 1/20 0.49
SLC6A4 P31645 1/20 0.49
ADRA1A P35348 1/20 0.49
HTR2B P41595 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
TSHR P16473 1/20 0.49
NFKB1 P19838 1/20 0.49
KDM4E B2RXH2 3/20 0.48
PMP22 Q01453 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
ALDH1A1 P00352 3/20 0.48

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
SCHEMBL289123 0.85 KMT2A (0.55) ADRA2CADRB2ADRB1HTR1ALMNA
SCHEMBL1036878 0.84 ADRA2C (0.48) ADRA2CADRB2ADRB1HTR1ALMNA
SCHEMBL1876475 0.81 NPSR1 (0.50) ADRA2CADRB2ADRB1HTR1ALMNA
SCHEMBL6722904 0.81 KMT2A (0.49) CYP1A2TSHRALDH1A1F9PLAU
SCHEMBL14524412 0.80 KDM4E (0.44) ADRA2CADRB2ADRB1HTR1ALMNA
SCHEMBL1039586 0.80 ADRA2C (0.47) ADRA2CADRB2ADRB1HTR1ALMNA
SCHEMBL23768089 0.79 ADRA2C (0.50) ADRA2CADRB2ADRB1HTR1ALMNA
SCHEMBL1325928 0.79 ADRB2 (0.56) ADRA2CADRB2ADRB1HTR1ALMNA
SCHEMBL15209922 0.78 ADRA2C (0.56) ADRA2CADRB2ADRB1HTR1ALMNA
SCHEMBL289802 0.78 ALDH1A1 (0.48) ADRA2CADRB2ADRB1HTR1ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2427469-A1 PROCESS FOR THE PREPARATION OF RUTHENIUM METATHESIS COMPLEX CATALYSTS F. Hoffmann-La Roche AG (CH) 2012-03-14 EP disclosed
US-7939668-B2 Ruthenium complexes as catalysts for metathesis reactions ROCHE PALO ALTO LLC (US) 2011-05-10 US 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
EP-1654266-B1 NOVEL METATHESIS CATALYSTS BOEHRINGER INGELHEIM INT (DE) 2008-06-04 EP disclosed
US-7241898-B2 Metathesis catalysts BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-07-10 US disclosed
EP-1654266-A1 NOVEL METATHESIS CATALYSTS Boehringer Ingelheim International GmbH (DE) 2006-05-10 EP disclosed
US-20050049417-A1 Metathesis catalysts BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-03-03 US disclosed
WO-2005016944-A1 NOVEL METATHESIS CATALYSTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-02-24 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 (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-20100286403-A1 PROCESS FOR THE PREPARATION A RUTHENIUM COMPLEX CYP3A4, CYP3A5, CYP3A7 ADRA2C 1561/4885ADRB2 1711/4885ADRB1 1545/4885
US-20050049417-A1 Metathesis catalysts CYP1B1, MSMO1, CYP1A1 ADRA2C 3959/4885ADRB2 3774/4885ADRB1 3613/4885
US-20090275714-A1 New Ruthenium Complexes as Catalysts for Metathesis Reactions HABP2, CYP3A7, ACE ADRA2C 4712/4885ADRB2 4735/4885ADRB1 4513/4885

“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.