SCHEMBL4465934

SCHEMBL4465934

CCC1=Cc2c(cccc2-c2ccc(C(C)(C)C)cc2)C1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.34
CREBBP Q92793 1/20 0.34
PARP1 P09874 1/20 0.33
DRD2 P14416 1/20 0.32
PTAFR P25105 1/20 0.32
S1PR4 O95977 1/20 0.31
S1PR5 Q9H228 1/20 0.31
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
F9 P00740 1/20 0.31
KIF11 P52732 2/20 0.31
S1PR1 P21453 1/20 0.31
DGAT1 O75907 1/20 0.31
NR1H4 Q96RI1 3/20 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
SCHEMBL2386182 0.87 BRD4 (0.33) BRD4CREBBPPARP1PTAFRS1PR4
SCHEMBL1583270 0.83 DPP4 (0.39) DRD2
SCHEMBL29594761 0.82 BRD4 (0.36) BRD4CREBBPPARP1PTAFRS1PR4
SCHEMBL1807786 0.82 BRD4 (0.36) BRD4CREBBPPARP1PTAFRS1PR4
SCHEMBL2389483 0.81 ACHE (0.37) BRD4CREBBP
Lithium SCHEMBL30438304 0.81 BRD4 (0.36) BRD4CREBBPPARP1PTAFRS1PR4
SCHEMBL29040664 0.81 BRD4 (0.36) BRD4CREBBPPARP1PTAFRS1PR4
SCHEMBL28148566 0.81 BRD4 (0.36) BRD4CREBBPPARP1PTAFRS1PR4
SCHEMBL4198923 0.81 PTAFR (0.34) PTAFRNPC1LMNATP53RAB9A
SCHEMBL2707579 0.79 BRD4 (0.35) BRD4CREBBPPARP1PTAFRS1PR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100575324-C Transition metal compounds, ligand systems, catalyst systems and their use in the polymerization and copolymerization of olefins BASELL POLYPROPYLEN GMBH 2009-12-30 CN disclosed
US-7569651-B2 Transition metal compound, ligand system, catalyst system and its use for the polymerization and copolymerization of olefins BASELL POLYPROPYLEN GMBH (DE) 2009-08-04 US disclosed
US-7342078-B2 Transition metal compound, ligand system, catalyst system and the use of the latter for polymerisation and copolymerisation of olefins BASELL POLYOLEFINE GMBH (DE) 2008-03-11 US disclosed
US-7241903-B2 Metallocenes, use in catalyst system for producing olefin polymers BASELL POLYOLEFINE GMBH (DE) 2007-07-10 US disclosed
EP-1334107-B1 NON-METALLOCENE COMPOUNDS, METHOD FOR THE PRODUCTION THEREOF AND USE OF THE SAME FOR THE POLYMERISATION OF OLEFINS BASELL POLYOLEFINE GMBH (DE) 2006-07-26 EP disclosed
CN-1249096-C Transition metal compounds, ligand systems, catalyst systems and their use in the polymerization and copolymerization of olefins BASELL POLYPROPYLEN GMBH (DE) 2006-04-05 CN disclosed
EP-1397371-B1 METALLOCENES AND THEIR USE IN CATALYST SYSTEMS FOR PRODUCING OLEFIN POLYMERS BASELL POLYOLEFINE GMBH (DE) 2006-03-22 EP disclosed
US-20060020096-A1 Transition metal compound, ligand system, catalyst system and its use for the polymerization and copolymerization of olefins SCHOTTEK JORG 2006-01-26 US disclosed
US-6872843-B2 Non-metallocene compounds, method for the production thereof and use of the same for the polymerization of olefins BASELL POLYOLEFINE GMBH (DE) 2005-03-29 US disclosed
CN-1590355-A Transition metal compounds, ligand systems, catalyst systems and their use in the polymerization and copolymerization of olefins BASELL POLYPROPYLEN GMBH (DE) 2005-03-09 CN disclosed
CN-1590422-A Transition metal compounds, ligand systems, catalyst systems and their use in the polymerization and copolymerization of olefins BASELL POLYPROPYLEN GMBH (DE) 2005-03-09 CN disclosed
US-20040171855-A1 Metallocenes, use in catalyst system for producing olefin polymers EQUISTAR CHEMICALS, LP 2004-09-02 US disclosed
EP-1397371-A1 METALLOCENES AND THEIR USE IN CATALYST SYSTEMS FOR PRODUCING OLEFIN POLYMERS Basell Polyolefine GmbH (DE) 2004-03-17 EP disclosed
US-20040023940-A1 Non-metallocene compounds, method for the production thereof and use of the same for the polymerisation of olefins EQUISTAR CHEMICALS, LP 2004-02-05 US disclosed
US-6627764-B1 Titanium, hafnium or zirconium indenyl halide complexes; coordination catalysts BASELL POLYOLEFINE GMBH (DE) 2003-09-30 US disclosed
EP-1334107-A2 NON-METALLOCENE COMPOUNDS, METHOD FOR THE PRODUCTION THEREOF AND USE OF THE SAME FOR THE POLYMERISATION OF OLEFINS Basell Polyolefine GmbH (DE) 2003-08-13 EP disclosed
US-20030149199-A1 Transition metal compound, ligand system, catalyst system and the use of the latter for polymerisation and copolymerisation of olefins BASELL POLYPROPYLEN GMBH (DE) 2003-08-07 US disclosed
CN-1433435-A Transition metal compounds, ligand systems, catalyst systems and their use in the polymerization and copolymerization of olefins BASELL POLYPROPYLEN GMBH (DE) 2003-07-30 CN disclosed
WO-2003000706-A1 METALLOCENES, USE IN CATALYST SYSTEMS FOR PRODUCING OLEFIN POLYMERS BASELL POLYOLEFINE GMBH (DE) 2003-01-03 WO disclosed
WO-2002032908-A2 NON-METALLOCENE COMPOUNDS, METHOD FOR THE PRODUCTION THEREOF AND USE OF THE SAME FOR THE POLYMERISATION OF OLEFINS BASELL POLYOLEFINE GMBH (DE) 2002-04-25 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 (3 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-20040171855-A1 Metallocenes, use in catalyst system for producing olefin polymers H1-4, H1-0, H1-10 BRD4 2213/4885CREBBP 4847/4885PARP1 657/4885
US-20030149199-A1 Transition metal compound, ligand system, catalyst system and the use of the latter for polymerisation and copolymerisation of olefins PORCN, PGR, PPOX BRD4 1223/4885CREBBP 2360/4885PARP1 421/4885
US-20040023940-A1 Non-metallocene compounds, method for the production thereof and use of the same for the polymerisation of olefins SOAT2, NOTUM, SOAT1 BRD4 1062/4885CREBBP 3466/4885PARP1 639/4885

“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.