SCHEMBL6891801

SCHEMBL6891801

CCN(C=CC(=O)OC)CC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 3/20 0.52
NFE2L2 Q16236 3/20 0.52
KEAP1 Q14145 1/20 0.52
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
TYR P14679 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
GFPT1 Q06210 1/20 0.34
ALDH1A1 P00352 4/20 0.33
ALOX15 P16050 2/20 0.33
HSD17B10 Q99714 2/20 0.33
RECQL P46063 1/20 0.33
MAPT P10636 3/20 0.32
KDM4E B2RXH2 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
TTR P02766 1/20 0.32
APP P05067 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
SCHEMBL6892352 1.00 HCAR2 (0.52) HCAR2NFE2L2KEAP1CA12CA1
SCHEMBL21127859 0.84 HCAR2 (0.32) HCAR2NFE2L2KEAP1ATMMEN1
SCHEMBL21126446 0.80 ATM (0.48) HCAR2ALDH1A1HSD17B10MAPTKDM4E
SCHEMBL1871206 0.80 HCAR2 (0.54) HCAR2CA12CA1CA2CA7
SCHEMBL1406159 0.80 HCAR2 (0.54) HCAR2CA12CA1CA2CA7
SCHEMBL10985141 0.77 HCAR2 (0.57) HCAR2ALDH1A1MAPTKDM4EAPP
SCHEMBL21126964 0.75 ATM (0.53) HCAR2ALDH1A1MAPTAPPATM
SCHEMBL11144144 0.73 TSHR (0.40) HCAR2ALDH1A1TDP1TP53
SCHEMBL1013020 0.73
SCHEMBL9308560 0.73 ALDH1A1 (0.32) ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103923765-A Detergent Composition For Process Of Manufacturing Semiconductors And Displays COWON INNOTECH INC 2014-07-16 CN claimed
EP-2707367-B1 METHODS FOR PREPARING NAPHTHYRIDINES BIONOMICS LTD (AU) 2019-10-09 EP disclosed
US-9133188-B2 Methods for preparing naphthyridines BIONOMICS LIMITED (AU) 2015-09-15 US disclosed
CN-103923765-A Detergent Composition For Process Of Manufacturing Semiconductors And Displays COWON INNOTECH INC 2014-07-16 CN disclosed
US-20140128600-A1 METHODS FOR PREPARING NAPHTHYRIDINES BIONOMICS LIMITED (AU) 2014-05-08 US disclosed
EP-2707367-A1 METHODS FOR PREPARING NAPHTHYRIDINES Bionomics Limited (AU) 2014-03-19 EP disclosed
WO-2012151640-A1 METHODS FOR PREPARING NAPHTHYRIDINES BIONOMICS LIMITED (AU) 2012-11-15 WO disclosed
CN-101448840-B Tetrahydropyridothienopyrimidine compounds and methods of use thereof BAYER SCHERING PHARMA AG (DE) 2011-12-14 CN disclosed
CN-101448840-A Tetrahydropyridothienopyrimidine compounds and methods of use thereof BAYER PHARMACEUTICALS CORP (DE) 2009-06-03 CN disclosed
US-6777556-B2 REACTING KETO-VINYL ETHER COMPOUND WITH DIALKYLAMINOACRYLATE COMPOUND TO OBTAIN DIALKYLAMINO-OXO-ESTER COMPOUND; REACTING WITH AMMONIA OR AMMONIUM COMPOUND TO FORM NICOTINIC ESTER COMPOUND, HYDROLYSIS BAYER CHEMICALS AG (DE) 2004-08-17 US disclosed
US-6706911-B1 REACTING N-SUBSTITUTED 3-AMINOACRYLIC ESTERS WITH HALOALKYLCARBOXYLIC ANHYDRIDES IN PRESENCE OF BASE; PYRAZOLE-4-CARBOXYLIC ACID CHEMICAL INTERMEDIATES; HALOACYLATION BAYER AKTIENGESELLSCHAFT (DE) 2004-03-16 US disclosed
US-20030176468-A1 Process for preparing 2-haloalkylnicotinic acids LANXESS DEUTSCHLAND GMBH (DE) 2003-09-18 US disclosed
EP-1340747-A1 Process for the preparation of 2-halogene-alkyl nicotinic acid alkyl-esters BAYER AG (DE) 2003-09-03 EP 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-20030176468-A1 Process for preparing 2-haloalkylnicotinic acids HDHD5, GNPAT, HACL2 HCAR2 201/4885NFE2L2 1578/4885KEAP1 270/4885
US-20140128600-A1 METHODS FOR PREPARING NAPHTHYRIDINES NQO1, CYP1A1, IPO4 HCAR2 4162/4885NFE2L2 541/4885KEAP1 456/4885

“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.