SCHEMBL3065038

SCHEMBL3065038

C1=C(CC2CCCCC2)Cc2c1cccc2-c1cccc2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.39
HTR7 P34969 3/20 0.36
HTR1A P08908 2/20 0.36
ACP3 P15309 1/20 0.36
ATM Q13315 3/20 0.35
SIGMAR1 Q99720 4/20 0.35
NPSR1 Q6W5P4 1/20 0.34
RORC P51449 1/20 0.34
SLC6A3 Q01959 1/20 0.33
METAP2 P50579 1/20 0.33
METAP1 P53582 1/20 0.33
CCR4 P51679 1/20 0.33
BCHE P06276 1/20 0.33

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
SCHEMBL3071175 0.78 ACHE (0.40) ACHE
SCHEMBL2385859 0.74 ACHE (0.37) ACHENPSR1
SCHEMBL5084593 0.71 ACHE (0.69) ACHEHTR7HTR1ASIGMAR1
SCHEMBL5953866 0.70 ACHE (0.37) ACHEATMBCHE
SCHEMBL16393430 0.70 HTR7 (0.38) HTR7HTR1AATMSLC6A3
SCHEMBL3155099 0.70 HTR7 (0.40) HTR7HTR1ASLC6A3
SCHEMBL29776182 0.70 HTR7 (0.40) HTR7HTR1ASLC6A3
Hydrochloric Acid SCHEMBL14812401 0.69 ACP3 (0.34) HTR7ACP3ATMNPSR1RORC
SCHEMBL3247871 0.69 ATM (0.58) ATMSIGMAR1NPSR1BCHE
SCHEMBL5953581 0.68 BCHE (0.36) ACHEATMNPSR1RORCBCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507706-B2 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) 2013-08-13 US disclosed
US-20120329964-A1 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) 2012-12-27 US disclosed
US-8299287-B2 Metallocene compounds, catalysts comprising them, process for producing an olefin polymer by use of the catalysts, and olefin homo- and copolymers Lammus Novolen Technology GmbH (DE) 2012-10-30 US disclosed
US-20100267907-A1 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) 2010-10-21 US disclosed
EP-2203483-A1 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) 2010-07-07 EP disclosed
WO-2009054832-A1 METALLOCENE COMPOUNDS, CATALYSTS COMPRISING THEM, PROCESS FOR PRODUCING AN OLEFIN POLYMER BY USE OF THE CATALYSTS, AND OLEFIN HOMO-AND COPOLYMERS NOVOLEN TECHNOLOGY HOLDINGS, C.V. (NL) 2009-04-30 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-20120329964-A1 METALLOCENE COMPOUNDS, CATALYSTS COMPRISING THEM, PROCESS FOR PRODUCING AN OLEFIN POLYMER BY USE OF THE CATALYSTS, AND OLEFIN HOMO- AND COPOLYMERS PIN1, PCNA, OPRM1 ACHE 2582/4885HTR7 455/4885HTR1A 113/4885
US-20100267907-A1 METALLOCENE COMPOUNDS, CATALYSTS COMPRISING THEM, PROCESS FOR PRODUCING AN OLEFIN POLYMER BY USE OF THE CATALYSTS, AND OLEFIN HOMO-AND COPOLYMERS PIN1, PCNA, OPRM1 ACHE 2582/4885HTR7 455/4885HTR1A 113/4885

“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.