SCHEMBL1024509

SCHEMBL1024509

CC(C)C1=Cc2cccc(-c3ccc(C(C)(C)C)cc3)c2C1[Si](C)(C)Cl

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KIF11 P52732 2/20 0.33
S1PR1 P21453 1/20 0.33
NR1H4 Q96RI1 3/20 0.32
BRD4 O60885 1/20 0.31
CREBBP Q92793 1/20 0.31
DGAT1 O75907 1/20 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
SCHEMBL4468420 0.86 PTAFR (0.36) PTAFRNPC1RAB9ALMNATP53
SCHEMBL5689983 0.82 BRD4 (0.36) PTAFRNPC1RAB9ALMNATP53
SCHEMBL1799580 0.81 NPC1 (0.33) PTAFRNPC1RAB9ALMNATP53
SCHEMBL30541994 0.81 NPC1 (0.33) PTAFRNPC1RAB9ALMNATP53
SCHEMBL5086245 0.80 PTAFR (0.34) PTAFRNPC1RAB9ALMNATP53
SCHEMBL5552751 0.73 NPC1 (0.34) PTAFRNPC1RAB9ALMNATP53
SCHEMBL27337741 0.73 NPC1 (0.34) PTAFRNPC1RAB9ALMNATP53
SCHEMBL27199723 0.72 TSHR (0.37) PTAFRNPC1RAB9ALMNATP53
SCHEMBL5690313 0.72 BRD4 (0.38) PTAFRNPC1RAB9ALMNATP53
SCHEMBL5548696 0.71 NR1H4 (0.30) NR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1455938-B1 ORGANOMETALLIC TRANSITION METAL COMPOUND, BISCYCLOPENTADIENYL LIGAND SYSTEM, CATALYST SYSTEM AND PREPARATION OF POLYOLEFINS BASELL POLYOLEFINE GMBH (DE) 2011-01-12 EP disclosed
EP-1692144-B1 ORGANOMETALLIC TRANSITION METAL COMPOUND, BISCYCLOPENTADIENYL LIGAND SYSTEM, CATALYST SYSTEM AND PREPARATION OF POLYOLEFINS BASELL POLYOLEFINE GMBH (DE) 2010-04-14 EP disclosed
EP-1636245-B1 BISINDENYL ZIRCONIUM COMPLEXES FOR USE IN THE POLYMERISATION OF OLEFINS BASELL POLYOLEFINE GMBH (DE) 2009-02-25 EP disclosed
US-7452949-B2 Organometallic transition metal compound, biscyclopentadienyl ligand system, catalyst system and preparation of polyolefins BASELL POLYOLEFINE GMBH (DE) 2008-11-18 US disclosed
US-20070155919-A1 Organometallic transition metal compound, biscyclopentadienyl ligand system, catalyst system and preparation of polyolefins BASELL POLYOLEFINE GMBH (DE) 2007-07-05 US disclosed
US-20060252637-A1 Bisindenyl zirconium complexes for use in the polymerization of olefins BASELL POLYOLEFINE GMBH (DE) 2006-11-09 US disclosed
US-7109278-B2 Organometallic transition metal compound, biscyclopentadienyl ligand system, catalyst system and preparation of polyolefins BASELL POLYOLEFINE GMBH (DE) 2006-09-19 US disclosed
EP-1692144-A2 ORGANOMETALLIC TRANSITION METAL COMPOUND, BISCYCLOPENTADIENYL LIGAND SYSTEM, CATALYST SYSTEM AND PREPARATION OF POLYOLEFINS Basell Polyolefine GmbH (DE) 2006-08-23 EP disclosed
EP-1636245-A1 BISINDENYL ZIRCONIUM COMPLEXES FOR USE IN THE POLYMERISATION OF OLEFINS Basell Polyolefine GmbH (DE) 2006-03-22 EP disclosed
WO-2005058916-A2 ORGANOMETALLIC TRANSITION METAL COMPOUND, BISCYCLOPENTADIENYL LIGAND SYSTEM, CATALYST SYSTEM AND PREPARATION OF POLYOLEFINS BASELL POLYOLEFINE GMBH (DE) 2005-06-30 WO disclosed
US-20040260107-A1 Organometallic transition metal compound, biscyclopentadienyl ligand system, catalyst system and preparation of polyolefins EQUISTAR CHEMICALS, LP 2004-12-23 US disclosed
WO-2004106351-A1 BISINDENYL ZIRCONIUM COMPLEXES FOR USE IN THE POLYMERISATION OF OLEFINS BASELL POLYOLEFINE GMBH (DE) 2004-12-09 WO disclosed
EP-1455938-A1 ORGANOMETALLIC TRANSITION METAL COMPOUND, BISCYCLOPENTADIENYL LIGAND SYSTEM, CATALYST SYSTEM AND PREPARATION OF POLYOLEFINS Basell Polyolefine GmbH (DE) 2004-09-15 EP disclosed
WO-2003045551-A1 ORGANOMETALLIC TRANSITION METAL COMPOUND, BISCYCLOPENTADIENYL LIGAND SYSTEM, CATALYST SYSTEM AND PREPARATION OF POLYOLEFINS BASELL POLYOLEFINE GMBH (DE) 2003-06-05 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 (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-20070155919-A1 Organometallic transition metal compound, biscyclopentadienyl ligand system, catalyst system and preparation of polyolefins SOD1, ORC3, OPRM1 PTAFR 2414/4885NPC1 1712/4885RAB9A 2208/4885
US-20040260107-A1 Organometallic transition metal compound, biscyclopentadienyl ligand system, catalyst system and preparation of polyolefins SOD1, SCO2, SOD3 PTAFR 3784/4885NPC1 1965/4885RAB9A 2901/4885

“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.