SCHEMBL4469050

SCHEMBL4469050

[CH]1C(C2CCCCC2)=Cc2c1cccc2-c1cccc2ccccc12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.33
HTR1A P08908 2/20 0.33
HTR7 P34969 2/20 0.33
CYP1B1 Q16678 1/20 0.33
PTPRC P08575 1/20 0.33
PTPRF P10586 1/20 0.33
CDC25B P30305 1/20 0.33
SLC6A3 Q01959 1/20 0.33
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
ALDH1A1 P00352 3/20 0.32
HSD17B10 Q99714 2/20 0.32
KDM4E B2RXH2 2/20 0.32
RAB9A P51151 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32
EPHX1 P07099 1/20 0.32

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
SCHEMBL4464956 0.82 CYP1B1 (0.39) CYP1B1CNR1CNR2ALDH1A1HSD17B10
SCHEMBL4467167 0.81 POLB (0.37) PTPN1PTPRCPTPRFCDC25BALDH1A1
SCHEMBL4460843 0.81 CYP1B1 (0.37) CYP1B1CNR2ALDH1A1HSD17B10KDM4E
SCHEMBL4465636 0.80 GSTP1 (0.36) PTPN1PTPRCPTPRFCDC25BSLC6A3
SCHEMBL4464393 0.80 POLB (0.35) PTPN1PTPRCPTPRFCDC25BALDH1A1
SCHEMBL4471130 0.72 PTAFR (0.37) ALDH1A1RAB9ACYP2C9EPHX1SMN1; SMN2
SCHEMBL219185 0.71 PTPN1 (0.37) PTPN1PTPRCPTPRFCDC25BALDH1A1
SCHEMBL714806 0.71 ALDH1A1 (0.39) PTPN1ALDH1A1HSD17B10KDM4ECYP1A2
SCHEMBL4473228 0.71 PTPN1 (0.37) PTPN1CDC25BALDH1A1HSD17B10KDM4E
SCHEMBL3065043 0.70 HRH3 (0.37) PTPN1HTR1AHTR7CYP1B1PTPRC

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 8 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-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
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

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 PTPN1 4043/4885HTR1A 1566/4885HTR7 1458/4885

“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.