SCHEMBL690091

SCHEMBL690091

CC1=Cc2c(-c3ccc(C(C)(C)C)cc3)ccc(-c3ccc(C(C)(C)C)cc3)c2C1[Si](C)(C)C1C(C)=Cc2c(-c3ccc(C(C)(C)C)cc3)ccc(-c3ccc(C(C)(C)C)cc3)c21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KIF11 P52732 3/20 0.35
DGAT1 O75907 2/20 0.34
KDM4E B2RXH2 2/20 0.33
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
S1PR1 P21453 1/20 0.31
NOTUM Q6P988 1/20 0.31
HIPK2 Q9H2X6 4/20 0.31
HIPK1 Q86Z02 3/20 0.31
HIPK3 Q9H422 3/20 0.31
CLK4 Q9HAZ1 2/20 0.31
CLK1 P49759 1/20 0.31
CLK2 P49760 1/20 0.31
CLK3 P49761 1/20 0.31
DYRK1A Q13627 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
SCHEMBL15809181 0.80
SCHEMBL1455223 0.80 NPC1 (0.36) NPC1RAB9ALMNATP53SMN1; SMN2
SCHEMBL15809206 0.78
SCHEMBL10270868 0.78 TSHR (0.33) NPC1RAB9ALMNATP53SMN1; SMN2
SCHEMBL1452808 0.76 HTT (0.38) NPC1RAB9ALMNATP53SMN1; SMN2
SCHEMBL15809253 0.76 TDO2 (0.32) KDM4E
SCHEMBL15809030 0.75 TDO2 (0.32) ALDH1A1
SCHEMBL22411215 0.75 NPC1 (0.33) NPC1RAB9ALMNATP53SMN1; SMN2
SCHEMBL14141861 0.75 TDO2 (0.32)
SCHEMBL690010 0.74 TSHR (0.31) NPC1RAB9ALMNATP53SMN1; SMN2

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
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
EP-2203486-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) 2010-07-07 EP disclosed
WO-2009054831-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 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 (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 NPC1 1969/4885RAB9A 2675/4885LMNA 1589/4885

“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.