SCHEMBL3325910

SCHEMBL3325910

Cl[Ru]Cl.NCCCP(c1ccccc1)c1ccccc1.NCCCP(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.38
HTR2A P28223 3/20 0.36
HRH1 P35367 2/20 0.36
KIF11 P52732 5/20 0.35
SMN1; SMN2 Q16637 2/20 0.32
CYP2A6 P11509 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
LOXL2 Q9Y4K0 1/20 0.32
TDP1 Q9NUW8 2/20 0.32
CYP3A4 P08684 1/20 0.32
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL474417 0.92 MAOA (0.43) MAOAHTR2AHRH1KIF11SMN1; SMN2
SCHEMBL27716064 0.90 MAOA (0.41) MAOAHTR2AHRH1KIF11SMN1; SMN2
SCHEMBL1767611 0.88 CYP3A4 (0.35) MAOAHTR2AHRH1SMN1; SMN2CYP2A6
SCHEMBL1466232 0.88 CYP3A4 (0.35) MAOAHTR2AHRH1SMN1; SMN2CYP2A6
SCHEMBL19946522 0.87 CYP3A4 (0.38) TDP1CYP3A4
SCHEMBL28858586 0.85 MAOA (0.46) MAOAHTR2AHRH1KIF11SMN1; SMN2
Formaldehyde SCHEMBL11357169 0.84 MAOA (0.38) MAOAHTR2AHRH1KIF11SMN1; SMN2
Carbon Monoxide SCHEMBL10733895 0.84 MAOA (0.38) MAOAHTR2AHRH1KIF11SMN1; SMN2
SCHEMBL28964148 0.83 MAOA (0.45) MAOAHTR2AHRH1KIF11SMN1; SMN2
SCHEMBL29531328 0.83 CYP3A4 (0.41) TDP1CYP3A4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1868964-B1 HYDROGENATION OF ESTERS WITH RU/BIDENTATE LIGANDS COMPLEXES FIRMENICH & CIE (CH) 2016-11-23 EP disclosed
WO-2013041106-A1 SYSTEM PROVIDING CONTROLLED DELIVERY OF GASEOUS 11CO FOR CARBONYLATION REACTIONS IN THE PREPARATION OF RADIOPHARMACEUTICALS FOR PET IMAGING AARHUS UNIVERSITET (DK) 2013-03-28 WO disclosed
WO-2012079583-A1 SYSTEM PROVIDING CONTROLLED DELIVERY OF GASEOUS CO FOR CARBONYLATION REACTIONS AARHUS UNIVERSITET (DK) 2012-06-21 WO disclosed
US-20100280273-A1 HYDROGENATION OF ESTERS WITH RU/BIDENTATE LIGANDS COMPLEXES FIRMENICH SA (CH) 2010-11-04 US disclosed
US-7763758-B2 Complex containing amino or imino groups with phosphino group FIRMENICH SA (CH) 2010-07-27 US disclosed
US-20100130754-A1 HYDROGENATION OF ESTERS WITH RU/BIDENTATE LIGANDS COMPLEXES FIRMENICH SA 2010-05-27 US disclosed
US-20080071121-A1 Complex containing amino or imino groups with phosphino group FIRMENICH SA (CH) 2008-03-20 US 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-20100130754-A1 HYDROGENATION OF ESTERS WITH RU/BIDENTATE LIGANDS COMPLEXES ADH5, ADH1A, ADH1C MAOA 3533/4885HTR2A 4137/4885HRH1 188/4885
US-20080071121-A1 Complex containing amino or imino groups with phosphino group ADH1C, ADH5, PHOSPHO1 MAOA 2918/4885HTR2A 4055/4885HRH1 1045/4885
US-20100280273-A1 HYDROGENATION OF ESTERS WITH RU/BIDENTATE LIGANDS COMPLEXES ADH5, ADH1A, ADH1C MAOA 3533/4885HTR2A 4137/4885HRH1 188/4885

“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.