SCHEMBL3685904

SCHEMBL3685904

CC1Cc2c(cc3c(c2Br)CCC3)C1=O

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 0.41
CDC25B P30305 1/20 0.31
NLRP3 Q96P20 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
SCHEMBL3688423 0.97 ACHE (0.41) ACHECDC25B
SCHEMBL179896 0.77 METAP1 (0.31)
SCHEMBL31046411 0.76 ACHE (0.39) ACHE
SCHEMBL3695397 0.76 ACHE (0.43) ACHE
SCHEMBL3661432 0.76 ACHE (0.49) ACHE
SCHEMBL5003189 0.74 ACHE (0.44) ACHE
SCHEMBL3691328 0.74 ACHE (0.51) ACHE
SCHEMBL180311 0.74 ACHE (0.42) ACHENLRP3
SCHEMBL24784456 0.73 ACHE (0.56) ACHECDC25B
SCHEMBL410953 0.73 ACHE (0.56) ACHECDC25B

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
US-8207281-B2 Process for preparing transition metal compounds for olefins polymerization BASELL POLYOLEFINE GMBH (DE) 2012-06-26 US disclosed
US-8207281-B2 Process for preparing transition metal compounds for olefins polymerization BASELL POLYOLEFINE GMBH (DE) 2012-06-26 US disclosed
US-20100311926-A1 PROCESS FOR PREPARING TRANSITION METAL COMPOUNDS FOR OLEFINS POLYMERIZATION BASELL POLYOLEFINE GMBH (DE) 2010-12-09 US disclosed
US-20100311926-A1 PROCESS FOR PREPARING TRANSITION METAL COMPOUNDS FOR OLEFINS POLYMERIZATION BASELL POLYOLEFINE GMBH (DE) 2010-12-09 US 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
WO-2009077115-A1 PROCESS FOR PREPARING TRANSITION METAL COMPOUNDS FOR OLEFIN POLYMERIZATION BASELL POLYOLEFINE GMBH (DE) 2009-06-25 WO 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
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
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

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 ACHE 4028/4885CDC25B 3017/4885NLRP3 1910/4885
US-20100311926-A1 PROCESS FOR PREPARING TRANSITION METAL COMPOUNDS FOR OLEFINS POLYMERIZATION FES, AP1S1, NBAS ACHE 3874/4885CDC25B 331/4885NLRP3 3267/4885

“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.