SCHEMBL4470044

SCHEMBL4470044

CCCC(C)C1=Cc2c(cccc2-c2ccc3ccccc3c2)[CH]1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 1/20 0.35
S1PR4 O95977 2/20 0.33
S1PR5 Q9H228 2/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
AKR1C3 P42330 3/20 0.33
AKR1C2 P52895 3/20 0.33
CNR2 P34972 1/20 0.33
PPARG P37231 2/20 0.33
PPARA Q07869 2/20 0.33
DHFR P00374 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
TRPA1 O75762 1/20 0.32
HSD17B1 P14061 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
SCHEMBL4465018 0.90 GSTP1 (0.36) GSTP1S1PR4S1PR5SLC6A2SLC6A4
SCHEMBL4470390 0.86 GSTP1 (0.41) GSTP1S1PR4S1PR5SLC6A2SLC6A4
SCHEMBL4469170 0.84 KDM4E (0.34)
SCHEMBL27757823 0.84 GSTP1 (0.40) GSTP1S1PR4S1PR5SLC6A2SLC6A4
SCHEMBL15163451 0.84 MEN1 (0.31)
SCHEMBL4465143 0.81 ALOX5 (0.33) AKR1C3AKR1C2CNR2PPARGPPARA
SCHEMBL4463470 0.79 PTAFR (0.32)
SCHEMBL5078563 0.77 GSTP1 (0.43) GSTP1SLC6A2SLC6A4SLC6A3HDAC4
SCHEMBL7625806 0.77 GSTP1 (0.38) GSTP1S1PR4S1PR5SLC6A2SLC6A4
SCHEMBL6380921 0.77 PTPN1 (0.32)

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 10 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
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-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-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
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
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
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 827/4885S1PR4 3206/4885S1PR5 4420/4885

“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.