SCHEMBL4469441

SCHEMBL4469441

CC(C)C1=Cc2c(cccc2-c2ccc3ccccc3c2)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 1/20 0.40
HDAC4 P56524 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
MET P08581 1/20 0.37
ACHE P22303 1/20 0.36
BACE1 P56817 1/20 0.36
DHFR P00374 1/20 0.36
AKR1C3 P42330 2/20 0.36
AKR1C2 P52895 2/20 0.36
HSD17B1 P14061 1/20 0.35
HSD17B2 P37059 1/20 0.35
S1PR4 O95977 1/20 0.34
S1PR5 Q9H228 1/20 0.34
MAOB P27338 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34

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
SCHEMBL8170273 0.84 GSTP1 (0.43) GSTP1HDAC4HDAC2HDAC8SLC6A2
SCHEMBL31197637 0.83 PRCP (0.35) MAOB
SCHEMBL4467574 0.83 PRCP (0.35) MAOB
SCHEMBL26606300 0.81 PNMT (0.31)
SCHEMBL4460798 0.79 HTR7 (0.38) SLC6A3AKR1C3AKR1C2HTR2AHTR2C
SCHEMBL6032655 0.78 BRD4 (0.31)
SCHEMBL6149919 0.78 BRD4 (0.31)
SCHEMBL1808402 0.77 BRD4 (0.34) AKR1C3AKR1C2
SCHEMBL29534991 0.77 BRD4 (0.34) AKR1C3AKR1C2
SCHEMBL6147883 0.76 RXRA (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1548023-B1 Transition metal compound, catalyst system and the use of the latter for the polymerisation and copolymerisation of olefins BASELL POLYOLEFINE GMBH (DE) 2013-08-14 EP disclosed
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
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
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
EP-1548037-A2 Random propylene-ethylene copolymers Basell Polyolefine GmbH (DE) 2005-06-29 EP disclosed
EP-1548023-A2 Transition metal compound, catalyst system and the use of the latter for the polymerisation and copolymerisation of olefins Basell Polyolefine GmbH (DE) 2005-06-29 EP disclosed
EP-1548022-A2 Transition metal compound, ligand system, catalyst system and the use of the latter for the polymerisation and copolymerisation of olefins Basell Polyolefine GmbH (DE) 2005-06-29 EP 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-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
EP-1250365-A2 TRANSITION METAL COMPOUND, LIGAND SYSTEM, CATALYST SYSTEM AND THE USE OF THE LATTER FOR THE POLYMERISATION AND COPOLYMERISATION OF OLEFINS Basell Polypropylen GmbH (DE) 2002-10-23 EP disclosed
WO-2001048034-A2 TRANSITION METAL COMPOUND, LIGAND SYSTEM, CATALYST SYSTEM AND THE USE OF THE LATTER FOR THE POLYMERISATION AND COPOLYMERISATION OF OLEFINS BASELL POLYOLEFINE GMBH (DE) 2001-07-05 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-20030149199-A1 Transition metal compound, ligand system, catalyst system and the use of the latter for polymerisation and copolymerisation of olefins PORCN, PGR, PPOX GSTP1 827/4885HDAC4 2011/4885HDAC2 1107/4885

“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.