SCHEMBL1023191

SCHEMBL1023191

Cc1ccc(Cl)c2c1CC(C)C2=O

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 9/20 0.50
MAOA P21397 5/20 0.44
MAOB P27338 3/20 0.44
POLL Q9UGP5 1/20 0.39
CES1 P23141 1/20 0.39
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
TP53 P04637 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 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
SCHEMBL5952089 0.87 ACHE (0.49) ACHEMAOACES1HTR2CPDE3B
SCHEMBL2046109 0.85 ACHE (0.56) ACHEMAOAMAOBPOLL
SCHEMBL31693572 0.85 ACHE (0.56) ACHEMAOAMAOBPOLL
SCHEMBL11874787 0.80 MAOA (0.61) ACHEMAOAMAOBPOLL
SCHEMBL5952434 0.79 ACHE (0.50) ACHEMAOAMAOBPOLL
SCHEMBL5952986 0.78 ACHE (0.76) ACHEPOLLHTR2AHTR2CHTR2B
SCHEMBL1022897 0.78 MAOA (0.42) ACHEMAOAMAOBPOLLCES1
SCHEMBL5953230 0.77 CES1 (0.35) ACHEMAOAMAOBPOLLCES1
SCHEMBL9082640 0.76 ACHE (0.47) ACHEMAOAMAOBPOLL
SCHEMBL5951414 0.74 ACHE (0.39) ACHE

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 ACHE 4391/4885MAOA 1460/4885MAOB 1537/4885
US-20060122345-A1 Organometallic transition metal compound, biscyclopentadienyl ligand system, catalyst system and process for preparing polyolefins C1R, CBR3, CBR1 ACHE 3431/4885MAOA 2132/4885MAOB 2148/4885

“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.