SCHEMBL3071175

SCHEMBL3071175

Cc1ccc(-c2cccc3c2CC(CC2CCCCC2)=C3)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.40
CES2 O00748 1/20 0.32
CNR1 P21554 4/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PTGS2 P35354 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31
PTGS1 P23219 1/20 0.31
SSTR3 P32745 1/20 0.31
KDR P35968 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
SCHEMBL3072752 0.90 ACHE (0.39) ACHENPC1
SCHEMBL2385859 0.88 ACHE (0.37) ACHECNR1MEN1KMT2AALDH1A1
SCHEMBL3065038 0.78 ACHE (0.39) ACHE
SCHEMBL27816386 0.73 CNR1 (0.31) CNR1NPC1RAB9ASSTR3
SCHEMBL27500689 0.72 KDR (0.38) MEN1KMT2ANPC1RAB9AKDR
SCHEMBL5953866 0.71 ACHE (0.37) ACHEKMT2AALDH1A1RAB9A
SCHEMBL27816400 0.71 MAOB (0.31) CNR1KMT2AALDH1A1
SCHEMBL5953581 0.69 BCHE (0.36) ACHE
SCHEMBL5084593 0.69 ACHE (0.69) ACHEALDH1A1RAB9A
SCHEMBL27816389 0.69 PTGS2 (0.33) PTGS2NPC1RAB9A

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 2582/4885CES2 2429/4885CNR1 1765/4885
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 2582/4885CES2 2429/4885CNR1 1765/4885

“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.