SCHEMBL6406820

SCHEMBL6406820

CC(C)=[Zr](Cl)(Cl)(C1C=C(C(C2CCCCC2)C2CCCCC2)c2ccccc21)C1C=C(C(C2CCCCC2)C2CCCCC2)c2ccccc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
IDO1 P14902 9/20 0.33
TDO2 P48775 5/20 0.33
HTT P42858 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
TSHR P16473 1/20 0.31
SPHK1 Q9NYA1 2/20 0.31
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
KDM4E B2RXH2 1/20 0.31
APAF1 O14727 1/20 0.31
NPC1 O15118 1/20 0.31
TDP2 O95551 1/20 0.31
S1PR4 O95977 1/20 0.31
HSP90AA1 P07900 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
XBP1 P17861 1/20 0.31
S1PR1 P21453 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
SCHEMBL6402658 0.99 IDO1 (0.31) BCHEACHEIDO1TDO2
SCHEMBL6401609 0.83 BCHE (0.36) BCHEACHEIDO1TDO2CYP3A4
SCHEMBL6401878 0.81 BCHE (0.33) BCHEACHE
SCHEMBL6402574 0.81 BCHE (0.34) BCHEACHE
SCHEMBL6409022 0.81 BCHE (0.34) BCHEACHE
SCHEMBL6401691 0.81 BCHE (0.34) BCHEACHE
SCHEMBL5702687 0.79 PTPN1 (0.38) POLB
SCHEMBL6407291 0.79 BCHE (0.32) BCHEACHE
SCHEMBL6401834 0.77 PTPN1 (0.36) BCHEACHEIDO1TDO2HTT
SCHEMBL6401654 0.77 PTPN1 (0.36) BCHEACHEIDO1TDO2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1017729-B1 PROCESS FOR THE PREPARATION OF SUBSTANTIALLY AMORPHOUS ALPHA-OLEFIN POLYMERS, COMPOSITIONS CONTAINING THEM AND PROCESS FOR THE PREPARATION OF BRIDGED LIGAND BASELL POLYOLEFINE GMBH (DE) 2005-09-14 EP disclosed
US-6844288-B2 Process for the preparation of ligands for metallogene catalysts BASELL POLYOLEFINE GMBH (DE) 2005-01-18 US disclosed
EP-0991677-B1 PROCESS FOR THE PREPARATION OF COPOLYMERS OF ETHYLENE WITH ALPHA-OLEFINS BASELL POLYOLEFINE GMBH (DE) 2004-06-16 EP disclosed
US-20030158356-A1 Process for the preparation of substantially amorphous alpha-olefin polymers and compositions containing them and process for the preparation of bridged ligand EQUISTAR CHEMICALS, LP 2003-08-21 US disclosed
US-20020169260-A1 Process for the preparation of ligands for metallocene catalysts RESCONI LUIGI (IT) 2002-11-14 US disclosed
US-20020156209-A1 Polymerization in the presence of metallocene catalysts with bridged bis-indenyl compounds BASELL TECHNOLOGY COMANY BV (NL) 2002-10-24 US disclosed
US-6448350-B1 Process for the preparation of copolymers of ethylene with alpha-olefins BASELL TECHNOLOGY COMPANY BV (NL) 2002-09-10 US disclosed
US-6423796-B1 COORDINATION CATALYST BASEL TECHNOLOGY COMPANY BV (NL) 2002-07-23 US disclosed
WO-2000001738-A9 PROCESS FOR THE PREPARATION OF SUBSTANTIALLY AMORPHOUS ALPHA-OLEFIN POLYMERS, COMPOSITIONS CONTAINING THEM AND PROCESS FOR THE PREPARATION OF BRIDGED LIGAND MONTELL TECHNOLOGY COMPANY BV (NL) 2000-07-27 WO disclosed
EP-1017729-A2 PROCESS FOR THE PREPARATION OF SUBSTANTIALLY AMORPHOUS ALPHA-OLEFIN POLYMERS, COMPOSITIONS CONTAINING THEM AND PROCESS FOR THE PREPARATION OF BRIDGED LIGAND Montell Technology Company bv (NL) 2000-07-12 EP disclosed
EP-0991677-A1 PROCESS FOR THE PREPARATION OF COPOLYMERS OF ETHYLENE WITH ALPHA-OLEFINS Montell Technology Company bv (NL) 2000-04-12 EP disclosed
WO-2000001738-A2 PROCESS FOR THE PREPARATION OF SUBSTANTIALLY AMORPHOUS ALPHA-OLEFIN POLYMERS, COMPOSITIONS CONTAINING THEM AND PROCESS FOR THE PREPARATION OF BRIDGED LIGAND MONTELL TECHNOLOGY COMPANY BV (NL) 2000-01-13 WO disclosed
WO-1999054369-A1 PROCESS FOR THE PREPARATION OF COPOLYMERS OF ETHYLENE WITH ALPHA-OLEFINS MONTELL TECHNOLOGY COMPANY B.V. (NL) 1999-10-28 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 (2 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-20030158356-A1 Process for the preparation of substantially amorphous alpha-olefin polymers and compositions containing them and process for the preparation of bridged ligand MACF1, SDC1, SDC2 BCHE 4211/4885ACHE 4508/4885IDO1 482/4885
US-20020169260-A1 Process for the preparation of ligands for metallocene catalysts SDC1, SDC2, SDC4 BCHE 4513/4885ACHE 4573/4885IDO1 1084/4885

“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.