SCHEMBL690593

SCHEMBL690593

CC1=Cc2c(-c3ccc(C(C)(C)C)cc3)ccc(-c3ccc(C(C)(C)C)cc3)c2C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
KIF11 P52732 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
LMNA P02545 2/20 0.35
TP53 P04637 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
DGAT1 O75907 2/20 0.34
BRD4 O60885 1/20 0.33
HTR1D P28221 1/20 0.33
ADRA1A P35348 1/20 0.33
NISCH Q9Y2I1 1/20 0.33
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
TYR P14679 1/20 0.31
PTAFR P25105 3/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
HPGD P15428 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
SCHEMBL1024476 0.90 TSHR (0.34) TSHRKIF11NPC1RAB9ALMNA
SCHEMBL1807786 0.79 BRD4 (0.36) TSHRKIF11NPC1RAB9ALMNA
SCHEMBL5553099 0.78 PTAFR (0.39) TSHRKIF11NPC1RAB9ALMNA
SCHEMBL14645947 0.76 RXRB (0.34) POLB
SCHEMBL1024342 0.74 TSHR (0.34) TSHRKIF11NPC1RAB9AHTR1D
SCHEMBL15808761 0.74 PTAFR (0.34) TSHRKIF11NPC1RAB9ALMNA
SCHEMBL4198077 0.73 TSHR (0.37) TSHRKIF11NPC1RAB9ALMNA
SCHEMBL15808729 0.73 PTAFR (0.39) TSHRKIF11NPC1RAB9ALMNA
SCHEMBL1022185 0.73 SIGMAR1 (0.32) TSHRKIF11NPC1RAB9ALMNA
SCHEMBL14142238 0.72 TDO2 (0.32) SMN1; SMN2AKR1C3AKR1C2ALDH1A1

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 TSHR 4600/4885KIF11 3159/4885NPC1 1969/4885

“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.