SCHEMBL680298

SCHEMBL680298

COC(=O)C(C)=CC=CC#N

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
RECQL P46063 2/20 0.32
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31
APP P05067 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL11199802 0.81 ALDH1A1 (0.47) ALDH1A1
SCHEMBL8582235 0.78 ALDH1A1 (0.42) ALDH1A1RECQLKEAP1NFE2L2HCAR2
SCHEMBL8582231 0.78 ALDH1A1 (0.42) ALDH1A1RECQLKEAP1NFE2L2HCAR2
SCHEMBL793261 0.77 PTGS1 (0.48) ALDH1A1
Acrylic Acid Methyl Ester SCHEMBL3229916 0.75 PTGS1 (0.37) ALDH1A1RECQLALOX15HSD17B10KDM4E
SCHEMBL5466031 0.75 ALDH1A1 (0.48) ALDH1A1
SCHEMBL8583353 0.75 ALDH1A1 (0.53) ALDH1A1RECQLKEAP1NFE2L2HCAR2
SCHEMBL15978562 0.75 ALDH1A1 (0.53) ALDH1A1RECQLKEAP1NFE2L2HCAR2
SCHEMBL8583351 0.75 ALDH1A1 (0.53) ALDH1A1RECQLKEAP1NFE2L2HCAR2
SCHEMBL25246818 0.75 ALDH1A1 (0.48) ALDH1A1RECQLKEAP1NFE2L2HCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8975327-B2 Controlling morphology of block copolymers DOW CORNING CORPORATION (US) 2015-03-10 US disclosed
US-20150064115-A1 NEUROPHILIC NANOPARTICLES UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2015-03-05 US disclosed
EP-2643413-A1 CONTROLLING MORPHOLOGY OF BLOCK COPOLYMERS Dow Corning Corporation (US) 2013-10-02 EP disclosed
US-20130231438-A1 Controlling Morphology of Block Copolymers DOW CORNING CORPORATION (US) 2013-09-05 US disclosed
WO-2012071330-A1 CONTROLLING MORPHOLOGY OF BLOCK COPOLYMERS DOW CORNING CORPORATION (US) 2012-05-31 WO disclosed
US-20110275774-A1 ORGANOANTIMONY COMPOUND, PROCESS FOR PREPARING SAME, LIVING RADICAL POLYMERIZATION INITIATOR, PROCESS FOR PRODUCING POLYMER WITH USE OF SAME, AND THE POLYMER YAMAGO SHIGERU 2011-11-10 US disclosed
US-8008414-B2 Organic antimony compound, process for producing the same, living radical polymerization initiator, process for producing polymer using the same, and polymer OTSUKA CHEMICAL CO., LTD. (JP) 2011-08-30 US disclosed
EP-1767539-B1 ORGANIC ANTIMONY COMPOUND, PROCESS FOR PRODUCING THE SAME, LIVING RADICAL POLYMERIZATION INITIATOR, PROCESS FOR PRODUCING POLYMER USING THE SAME, AND POLYMER OTSUKA CHEMICAL CO LTD (JP) 2011-07-27 EP disclosed
US-7846412-B2 Nanoparticle fluorescent probes comprised of quantum dot and hydrophobic protection structure including capping ligand and amphiphilic copolymer; biocompatibility; multiplexed imaging and detection of genes and proteins in single living cells; cancer diagnosis EMORY UNIVERSITY (US) 2010-12-07 US disclosed
US-20090299008-A1 Organic antimony compound, process for producing the same, living radical polymerization initiator, process for producing polymer using the same, and polymer OTSUKA CHEMICAL CO., LTD. (JP) 2009-12-03 US disclosed
WO-2008137733-A2 MICELLAR STRUCTURES, METHODS OF MAKING MICELLAR STRUCTURES, METHODS OF IMAGING, AND METHODS OF DELIVERING AGENTS EMORY UNIVERSITY (US) 2008-11-13 WO disclosed
WO-2008116044-A1 SEMICONDUCTOR QUANTUM DOTS FOR EFEICIENT DELIVERY AND INTRACELLULAR IMAGING OF SIRNA EMORY UNIVERSITY (US) 2008-09-25 WO disclosed
EP-1767539-A1 ORGANIC ANTIMONY COMPOUND, PROCESS FOR PRODUCING THE SAME, LIVING RADICAL POLYMERIZATION INITIATOR, PROCESS FOR PRODUCING POLYMER USING THE SAME, AND POLYMER OTSUKA CHEMICAL COMPANY, LTD. (JP) 2007-03-28 EP disclosed
EP-1696784-A2 BIOCONJUGATED NANOSTRUCTURES, METHODS OF FABRICATION THEREOF, AND METHODS OF USE THEREOF Emory University (US) 2006-09-06 EP disclosed
WO-2005065081-A2 BIOCONJUGATED NANOSTRUCTURES, METHODS OF FABRICATION THEREOF, AND METHODS OF USE THEREOF EMORY UNIVERSITY (US) 2005-07-21 WO disclosed
US-20050136258-A1 Nanoparticle fluorescent probes comprised of quantum dot and hydrophobic protection structure including capping ligand and amphiphilic copolymer; biocompatibility; multiplexed imaging and detection of genes and proteins in single living cells; cancer diagnosis NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-06-23 US disclosed
US-4290918-A ORGANIC POLYMERS BOUND TO METAL COMPOUND HEYL & CO., CHEMISCH-PHARMAZEUTISCHE FABRIK (DE) 1981-09-22 US 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 (1 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-20090299008-A1 Organic antimony compound, process for producing the same, living radical polymerization initiator, process for producing polymer using the same, and polymer AOC2, ODC1, MCM7 ALDH1A1 1542/4885RECQL 1158/4885KEAP1 772/4885

“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.