SCHEMBL1040183

SCHEMBL1040183

C=Cc1ccccc1OCC(=O)N1CCCC1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.63
MEN1 O00255 4/20 0.63
POLB P06746 2/20 0.62
PKM P14618 2/20 0.53
ALDH1A1 P00352 2/20 0.52
LMNA P02545 1/20 0.52
RAB9A P51151 3/20 0.52
HPGD P15428 3/20 0.51
NPC1 O15118 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
GAA P10253 2/20 0.50
MAPT P10636 1/20 0.50
CYP2C9 P11712 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
TSHR P16473 1/20 0.49
FKBP1A P62942 1/20 0.49

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
SCHEMBL21365729 0.99 POLB (0.64) KMT2AMEN1POLBPKMALDH1A1
SCHEMBL6166729 0.86 POLB (0.66) KMT2AMEN1POLBPKMALDH1A1
SCHEMBL6687183 0.77 PTGDR2 (0.72) KMT2AMEN1POLBALDH1A1HPGD
SCHEMBL21365414 0.77 POLB (0.69) KMT2AMEN1POLBALDH1A1RAB9A
SCHEMBL791659 0.77 KMT2A (0.71) KMT2AMEN1POLBALDH1A1LMNA
SCHEMBL12169304 0.75 KMT2A (0.69) KMT2AMEN1POLBALDH1A1LMNA
SCHEMBL17863711 0.75 PTGDR2 (0.51) KMT2AMEN1POLBALDH1A1LMNA
SCHEMBL10627483 0.75 PTGDR2 (0.51) KMT2AMEN1POLBALDH1A1LMNA
SCHEMBL6166972 0.75 MEN1 (0.60) KMT2AMEN1POLBALDH1A1GAA
SCHEMBL7316803 0.75 FKBP1A (0.67) KMT2AMEN1POLBPKMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288534-B2 Process for the preparation a ruthenium complex ROCHE PALO ALTO LLC (US) 2012-10-16 US 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-2276725-B1 NEW RUTHENIUM COMPLEXES AS CATALYSTS FOR METATHESIS REACTIONS HOFFMANN LA ROCHE (CH) 2012-07-04 EP disclosed
US-7939668-B2 Ruthenium complexes as catalysts for metathesis reactions ROCHE PALO ALTO LLC (US) 2011-05-10 US 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-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
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
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 KMT2A 4269/4885MEN1 193/4885POLB 443/4885
US-20090275714-A1 New Ruthenium Complexes as Catalysts for Metathesis Reactions HABP2, CYP3A7, ACE KMT2A 4270/4885MEN1 2157/4885POLB 1277/4885

“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.