SCHEMBL3065043

SCHEMBL3065043

CC1C(C2CCCCC2)=Cc2cccc(-c3cccc4ccccc34)c21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.37
HTR7 P34969 3/20 0.34
HTR1A P08908 2/20 0.34
SLC6A3 Q01959 1/20 0.34
BRD4 O60885 1/20 0.32
CREBBP Q92793 1/20 0.32
CYP1B1 Q16678 1/20 0.32
PTPRC P08575 1/20 0.32
PTPRF P10586 1/20 0.32
PTPN1 P18031 1/20 0.32
CDC25B P30305 1/20 0.32
PPARG P37231 4/20 0.32
PPARA Q07869 4/20 0.32
POLB P06746 1/20 0.32
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31

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
SCHEMBL28019488 0.82 PTGS2 (0.36) PTPRCPTPRFPTPN1CDC25BPOLB
SCHEMBL4469050 0.70 PTPN1 (0.33) HTR7HTR1ASLC6A3CYP1B1PTPRC
SCHEMBL5836970 0.69 NPC1 (0.34) HRH3HTR7HTR1ASLC6A3CYP1B1
SCHEMBL7618752 0.67 ALDH1A1 (0.37) HTR7HTR1APTPN1POLBALDH1A1
SCHEMBL8338786 0.66 ALDH1A1 (0.39) HRH3HTR7HTR1APTPN1POLB
Hydrochloric Acid SCHEMBL6888596 0.66 MTNR1A (0.32) HTR7HTR1ACYP1B1PTPRCPTPRF
SCHEMBL28775406 0.66 HTR7 (0.40) HRH3HTR7HTR1ASLC6A3PPARG
Hydrochloric Acid SCHEMBL6886232 0.65 MTNR1A (0.31) HTR7HTR1ACYP1B1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL6889722 0.65 MTNR1A (0.31) HTR7HTR1ACYP1B1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL6890234 0.65 MTNR1A (0.31) HTR7HTR1ACYP1B1ALDH1A1MAPT

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 8 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
CN-101889030-B Metallocene compound, catalyst containing the same, and process for producing olefin polymer using the catalyst LUMMUS NOVOLEN TECHNOLOGY GMBH (DE) 2013-07-17 CN 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
CN-101889030-A Metallocene compound, catalyst containing the same, process for producing olefin polymer using the catalyst, and olefin homopolymer and copolymer NOVOLEN TECH HOLDINGS CV 2010-11-17 CN 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 HRH3 170/4885HTR7 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 HRH3 170/4885HTR7 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.