SCHEMBL4427313

SCHEMBL4427313

CC(C)c1ccccc1-c1ccccc1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46
ALDH1A1 P00352 2/20 0.44
MAPK1 P28482 1/20 0.44
GABRA1 P14867 3/20 0.43
GABRB2 P47870 2/20 0.43
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
FAAH O00519 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
GABRB1 P18505 1/20 0.39
PTGS1 P23219 1/20 0.39
SLC6A2 P23975 1/20 0.39
HTR2C P28335 1/20 0.39

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
SCHEMBL167078 0.85 GABRA1 (0.55) CA1CA2CA12CA9ALDH1A1
SCHEMBL29414063 0.85 GABRA1 (0.55) CA1CA2CA12CA9ALDH1A1
SCHEMBL9174922 0.83 GABRA1 (0.52) CA1CA2CA12CA9ALDH1A1
Hydrogen Peroxide SCHEMBL9644435 0.80 GABRA1 (0.56) CA1CA2CA12CA9GABRA1
SCHEMBL255259 0.80 GABRA1 (0.50) CA1CA2CA12CA9ALDH1A1
SCHEMBL29428538 0.80 GABRA1 (0.50) CA1CA2CA12CA9ALDH1A1
SCHEMBL4659907 0.78 GABRA1 (0.48) CA1CA2CA12CA9ALDH1A1
SCHEMBL31295703 0.77 ALDH1A1 (0.67) CA1CA2ALDH1A1MAPK1LMNA
SCHEMBL358976 0.77 ALDH1A1 (0.67) CA1CA2ALDH1A1MAPK1LMNA
SCHEMBL22320330 0.75 L3MBTL1 (0.32) CA1CA2CA12CA9LMNA

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110809586-B Biaryl phenoxy group IV transition metal catalysts for olefin polymerization 陶氏环球技术有限责任公司 2023-06-27 CN disclosed
CN-110809586-A Biarylphenoxy group IV transition metal catalysts for olefin polymerization 陶氏环球技术有限责任公司 2020-02-18 CN disclosed
EP-2583958-B1 Ligands for metals and improved metal-catalyzed processes based thereon MASSACHUSETTS INST TECHNOLOGY (US) 2016-08-10 EP disclosed
EP-2583958-A1 Ligands for metals and improved metal-catalyzed processes based thereon Massachusetts Institute of Technology (MIT) (US) 2013-04-24 EP disclosed
US-7560582-B2 Ligands for metals and improved metal-catalyzed processes based thereon MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2009-07-14 US disclosed
EP-1581467-A4 LIGANDS FOR METALS AND IMPROVED METAL-CATALYZED PROCESSES BASED THEREON MASSACHUSETTS INST TECHNOLOGY (US) 2008-08-13 EP disclosed
US-20080033171-A1 Ligands for Metals and Improved Metal-Catalyzed Processes Based Thereon MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2008-02-07 US disclosed
US-7223879-B2 Ligands for metals and improved metal-catalyzed processes based thereon MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2007-05-29 US disclosed
EP-1354887-B1 Ligands for metals and improved metal-catalyzed processes based thereon MASSACHUSETTS INST TECHNOLOGY (US) 2007-04-25 EP disclosed
US-7026498-B2 Coordination catalyst containing ligand MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2006-04-11 US disclosed
EP-1581467-A2 LIGANDS FOR METALS AND IMPROVED METAL-CATALYZED PROCESSES BASED THEREON MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2005-10-05 EP disclosed
US-6946560-B2 Ligands for metals and improved metal-catalyzed processes based thereon MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2005-09-20 US disclosed
US-20040171833-A1 Ligands for metals and improved metal-catalyzed processes based thereon NATIONAL SCIENCE FOUNDATION 2004-09-02 US disclosed
WO-2004052939-A2 LIGANDS FOR METALS AND IMPROVED METAL-CATALYZED PROCESSES BASED THEREON MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2004-06-24 WO disclosed
US-20040010149-A1 Ligands for metals and improved metal-catalyzed processes based thereon NATIONAL SCIENCE FOUNDATION 2004-01-15 US disclosed
EP-1354887-A1 Ligands for metals and improved metal-catalyzed processes based thereon Massachusetts Insitute of Technology (US) 2003-10-22 EP disclosed
US-20020156295-A1 Ligands for metals and improved metal-catalyzed processes based thereon NATIONAL SCIENCE FOUNDATION 2002-10-24 US disclosed
US-6307087-B1 USE OF CATALYSTS COMPRISING THESE LIGANDS IN TRANSITION METAL-CATALYZED CARBON-HETEROATOM AND CARBON-CARBON BOND-FORMING REACTIONS. MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2001-10-23 US disclosed
EP-1097158-A2 LIGANDS FOR METALS AND METAL-CATALYZED PROCESSES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2001-05-09 EP disclosed
WO-2000002887-A2 LIGANDS FOR METALS AND METAL-CATALYZED PROCESSES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2000-01-20 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 (4 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-20040010149-A1 Ligands for metals and improved metal-catalyzed processes based thereon THEM6, SOD1, SLC30A6 CA1 314/4885CA2 131/4885CA12 73/4885
US-20080033171-A1 Ligands for Metals and Improved Metal-Catalyzed Processes Based Thereon THEM6, SOD1, SLC30A6 CA1 314/4885CA2 131/4885CA12 73/4885
US-20040171833-A1 Ligands for metals and improved metal-catalyzed processes based thereon THEM6, SLC30A6, SOD1 CA1 210/4885CA2 88/4885CA12 52/4885
US-20020156295-A1 Ligands for metals and improved metal-catalyzed processes based thereon THEM6, SOD1, SLC30A6 CA1 314/4885CA2 131/4885CA12 73/4885

“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.