SCHEMBL1024046

SCHEMBL1024046

Cc1cccc(C(=O)C(C)Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.55
SLC6A3 Q01959 2/20 0.55
CHRNA1 P02708 1/20 0.55
CHRNG P07510 1/20 0.55
CHRNB1 P11230 1/20 0.55
CHRNB2 P17787 1/20 0.55
CHRNB4 P30926 1/20 0.55
CHRNA3 P32297 1/20 0.55
CHRNA4 P43681 1/20 0.55
CHRND Q07001 1/20 0.55
PARP1 P09874 1/20 0.55
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.49
ATM Q13315 1/20 0.47
KCNK3 O14649 3/20 0.47
KCNK9 Q9NPC2 3/20 0.47
HPGD P15428 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47

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
SCHEMBL8507979 0.86 PARP1 (0.57) SLC6A2SLC6A3CHRNA1CHRNGCHRNB1
SCHEMBL585998 0.84 PARP1 (0.59) SLC6A2SLC6A3CHRNA1CHRNGCHRNB1
SCHEMBL29923066 0.84 PARP1 (0.59) SLC6A2SLC6A3CHRNA1CHRNGCHRNB1
SCHEMBL8397353 0.83 PARP1 (0.58) SLC6A2SLC6A3CHRNA1CHRNGCHRNB1
SCHEMBL15007483 0.82 SLC6A2 (0.57) SLC6A2SLC6A3CHRNA1CHRNGCHRNB1
SCHEMBL1305879 0.82 SLC6A2 (0.57) SLC6A2SLC6A3CHRNA1CHRNGCHRNB1
SCHEMBL18068936 0.82 SLC6A2 (0.57) SLC6A2SLC6A3CHRNA1CHRNGCHRNB1
SCHEMBL11769927 0.81 SLC6A2 (0.61) SLC6A2SLC6A3CHRNA1CHRNGCHRNB1
SCHEMBL31268571 0.81 SLC6A2 (0.61) SLC6A2SLC6A3CHRNA1CHRNGCHRNB1
SCHEMBL9040297 0.81 PARP1 (0.60) SLC6A2SLC6A3CHRNA1CHRNGCHRNB1

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-1567560-B1 ORGANOMETALLIC TRANSITION METAL COMPOUND, BISCYCLOPENTADIENYL LIGAND SYSTEM, CATALYST SYSTEM AND PROCESS FOR PREPARING POLYOLEFINS BASELL POLYOLEFINE GMBH (DE) 2011-01-19 EP disclosed
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
US-7405261-B2 Organometallic transition metal compound, biscyclopentadienyl ligand system, catalyst system and process for preparing polyolefins BASELL POLYOLEFINE GMBH (DE) 2008-07-29 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
US-20060122345-A1 Organometallic transition metal compound, biscyclopentadienyl ligand system, catalyst system and process for preparing polyolefins BASSELL POLYOLEFINE GMBH (DE) 2006-06-08 US disclosed
EP-1567560-A1 ORGANOMETALLIC TRANSITION METAL COMPOUND, BISCYCLOPENTADIENYL LIGAND SYSTEM, CATALYST SYSTEM AND PROCESS FOR PREPARING POLYOLEFINS Basell Polyolefine GmbH (DE) 2005-08-31 EP 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
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-2004052945-A1 ORGANOMETALLIC TRANSITION METAL COMPOUND, BISCYCLOPENTADIENYL LIGAND SYSTEM, CATALYST SYSTEM AND PROCESS FOR PREPARING POLYOLEFINS BASELL POLYOLEFINE GMBH (DE) 2004-06-24 WO 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-20040260107-A1 Organometallic transition metal compound, biscyclopentadienyl ligand system, catalyst system and preparation of polyolefins SOD1, SCO2, SOD3 SLC6A2 3612/4885SLC6A3 1976/4885CHRNA1 936/4885
US-20060122345-A1 Organometallic transition metal compound, biscyclopentadienyl ligand system, catalyst system and process for preparing polyolefins C1R, CBR3, CBR1 SLC6A2 3811/4885SLC6A3 1977/4885CHRNA1 979/4885

“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.