SCHEMBL690405

SCHEMBL690405

CC1=Cc2c(-c3cccc4ccccc34)ccc(-c3cccc4ccccc34)c2C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
CYP2A6 P11509 1/20 0.41
HTR7 P34969 3/20 0.40
HTR1A P08908 2/20 0.40
BRD4 O60885 1/20 0.38
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
DHFR P00374 1/20 0.36
PTPN1 P18031 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
NISCH Q9Y2I1 1/20 0.34
KDM4E B2RXH2 4/20 0.34
CYP1A2 P05177 2/20 0.34
HPGD P15428 2/20 0.34
CYP2C19 P33261 2/20 0.34
HTT P42858 1/20 0.34
CDK5 Q00535 1/20 0.34

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
SCHEMBL2963885 0.88 ALDH1A1 (0.37) ALDH1A1CYP2A6HTR7HTR1ABRD4
SCHEMBL2973386 0.88 CA12 (0.36) ALDH1A1CYP2A6HTR7HTR1ABRD4
SCHEMBL30229790 0.83 HTR7 (0.41) ALDH1A1CYP2A6HTR7HTR1ABRD4
SCHEMBL4467543 0.83 HTR7 (0.41) ALDH1A1CYP2A6HTR7HTR1ABRD4
SCHEMBL29776182 0.82 HTR7 (0.40) ALDH1A1CYP2A6HTR7HTR1ABRD4
SCHEMBL3155099 0.82 HTR7 (0.40) ALDH1A1CYP2A6HTR7HTR1ABRD4
SCHEMBL2964779 0.77 HTR7 (0.35) ALDH1A1CYP2A6HTR7HTR1ABRD4
SCHEMBL7651334 0.76 HPRT1 (0.44) ALDH1A1CYP2A6HTR7HTR1ACYP1A2
SCHEMBL2970307 0.76 HTR7 (0.34) ALDH1A1CYP2A6HTR7HTR1ABRD4
SCHEMBL30394320 0.74 HTR7 (0.46) ALDH1A1CYP2A6HTR7HTR1ABRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2203486-B9 RACEMOSELECTIVE SYNTHESIS OF ANSA-METALLOCENE COMPOUNDS, ANSA-METALLOCENE COMPOUNDS, CATALYSTS COMPRISING THEM, PROCESS FOR PRODUCING AN OLEFIN POLYMER BY USE OF THE CATALYSTS, AND OLEFIN HOMO- AND COPOLYMERS LUMMUS NOVOLEN TECHNOLOGY GMBH (DE) 2012-08-01 EP disclosed
US-8168556-B2 Racemoselective synthesis of ansa-metallocene compounds, ansa-metallocene compounds, catalysts comprising them, process for producing an olefin polymer by use of the catalysts, and olefin homo- and copolymers LUMMUS NOVOLEN TECHNOLOGY GMBH (DE) 2012-05-01 US disclosed
EP-2203486-B1 RACEMOSELECTIVE SYNTHESIS OF ANSA-METALLOCENE COMPOUNDS, ANSA-METALLOCENE COMPOUNDS, CATALYSTS COMPRISING THEM, PROCESS FOR PRODUCING AN OLEFIN POLYMER BY USE OF THE CATALYSTS, AND OLEFIN HOMO- AND COPOLYMERS LUMMUS NOVOLEN TECHNOLOGY GMBH (DE) 2012-02-29 EP disclosed
US-20100261860-A1 RACEMOSELECTIVE SYNTHESIS OF ANSA-METALLOCENE COMPOUNDS, ANSA-METALLOCENE COMPOUNDS, CATALYSTS COMPRISING THEM, PROCESS FOR PRODUCING AN OLEFIN POLYMER BY USE OF THE CATALYSTS, AND OLEFIN HOMO- AND COPOLYMERS LUMMUS NOVOLEN TECHNOLOGY GMBH (DE) 2010-10-14 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 (1 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-20100261860-A1 RACEMOSELECTIVE SYNTHESIS OF ANSA-METALLOCENE COMPOUNDS, ANSA-METALLOCENE COMPOUNDS, CATALYSTS COMPRISING THEM, PROCESS FOR PRODUCING AN OLEFIN POLYMER BY USE OF THE CATALYSTS, AND OLEFIN HOMO- AND COPOLYMERS MAOA, SNCA, ARSA ALDH1A1 190/4885CYP2A6 17/4885HTR7 774/4885

“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.