SCHEMBL289802

SCHEMBL289802

C=CCc1ccccc1OC(C)C(=O)N1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
HPGD P15428 1/20 0.48
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
APOBEC3A P31941 2/20 0.46
APOBEC3G Q9HC16 2/20 0.46
ADRA2C P18825 4/20 0.46
ADRA2A P08913 3/20 0.46
ADRA2B P18089 3/20 0.46
HTR1A P08908 3/20 0.46
KCNH2 Q12809 2/20 0.46
LMNA P02545 4/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ADRB2 P07550 3/20 0.44
ADRB1 P08588 3/20 0.44
ADRB3 P13945 1/20 0.44
SLC6A2 P23975 1/20 0.44
BDKRB2 P30411 1/20 0.44

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
SCHEMBL1037732 0.89 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2HPGDKDM4EMEN1
SCHEMBL299525 0.81 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2HPGDKDM4EMEN1
SCHEMBL289123 0.80 KMT2A (0.55) ALDH1A1KDM4EKMT2AADRA2CADRA2A
SCHEMBL1036878 0.79 ADRA2C (0.48) ALDH1A1KDM4EKMT2AADRA2CADRA2A
SCHEMBL289668 0.78 ADRA2C (0.49) ALDH1A1KDM4EMEN1KMT2AADRA2C
SCHEMBL16825924 0.74 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2HPGDMEN1KMT2A
SCHEMBL11939338 0.74 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2HPGDKDM4EMEN1
SCHEMBL1039586 0.74 ADRA2C (0.47) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL12635428 0.74 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2HPGDKDM4EMEN1
SCHEMBL1876475 0.73 NPSR1 (0.50) KDM4EMEN1KMT2AADRA2CHTR1A

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 10 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

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 ALDH1A1 1321/4885SMN1; SMN2 4452/4885HPGD 621/4885
US-20090275714-A1 New Ruthenium Complexes as Catalysts for Metathesis Reactions HABP2, CYP3A7, ACE ALDH1A1 1641/4885SMN1; SMN2 4639/4885HPGD 1607/4885

“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.