SCHEMBL289123

SCHEMBL289123

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.55
ADRA2C P18825 4/20 0.49
ADRA2A P08913 3/20 0.49
ADRA2B P18089 3/20 0.49
HTR1A P08908 3/20 0.49
KCNH2 Q12809 2/20 0.49
ADRB2 P07550 3/20 0.48
ADRB1 P08588 3/20 0.48
LMNA P02545 2/20 0.48
CYP1A2 P05177 2/20 0.48
ADRB3 P13945 1/20 0.48
SLC6A2 P23975 1/20 0.48
BDKRB2 P30411 1/20 0.48
SLC6A4 P31645 1/20 0.48
ADRA1A P35348 1/20 0.48
HTR2B P41595 1/20 0.48
CYP2D6 P10635 1/20 0.48
TSHR P16473 1/20 0.48
NFKB1 P19838 1/20 0.48
KDM4E B2RXH2 3/20 0.47

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
SCHEMBL1036878 0.87 ADRA2C (0.48) KMT2AADRA2CADRA2AADRA2BHTR1A
SCHEMBL289668 0.85 ADRA2C (0.49) KMT2AADRA2CADRA2AADRA2BHTR1A
SCHEMBL1876475 0.84 NPSR1 (0.50) KMT2AADRA2CHTR1AKCNH2ADRB2
SCHEMBL8935860 0.82 KDM4E (0.45) KMT2AADRA2CADRA2AADRA2BHTR1A
SCHEMBL8935855 0.82 KDM4E (0.45) KMT2AADRA2CADRA2AADRA2BHTR1A
SCHEMBL11052071 0.82 KMT2A (0.64) KMT2AADRA2CADRA2AADRA2BCYP1A2
SCHEMBL1039586 0.82 ADRA2C (0.47) KMT2AADRA2CADRA2AADRA2BHTR1A
SCHEMBL1325928 0.81 ADRB2 (0.56) KMT2AADRA2CADRA2AADRA2BHTR1A
SCHEMBL7934338 0.81 KMT2A (0.62) KMT2ACYP1A2HTR2BTSHRTDP1
SCHEMBL7087891 0.81 KMT2A (0.62) KMT2ACYP1A2HTR2BTSHRKDM4E

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 12 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
US-4465494-A FOR ENGINES OR BURNERS SOCIETE NATIONALE ELF AQUITAINE (FR) 1984-08-14 US disclosed
EP-0058605-A2 Microemulsion of water in a liquid combustible SOCIETE NATIONALE ELF AQUITAINE (FR) 1982-08-25 EP 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 KMT2A 4269/4885ADRA2C 1561/4885ADRA2A 2432/4885
US-20090275714-A1 New Ruthenium Complexes as Catalysts for Metathesis Reactions HABP2, CYP3A7, ACE KMT2A 4270/4885ADRA2C 4712/4885ADRA2A 4822/4885

“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.