SCHEMBL746755

SCHEMBL746755

CC(O)C(=O)OC(=O)/C=C\C(=O)OC(=O)C(C)O

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 7/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
TP53 P04637 1/20 0.36
ATM Q13315 1/20 0.34
TSHR P16473 2/20 0.33
ALDH1A1 P00352 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
SCHEMBL9384923 1.00 HCAR2 (0.39) HCAR2KEAP1NFE2L2TP53ATM
SCHEMBL16681177 0.97 HCAR2 (0.38) HCAR2KEAP1NFE2L2TP53ATM
SCHEMBL8460434 0.97 HCAR2 (0.38) HCAR2KEAP1NFE2L2TP53ATM
SCHEMBL14157639 0.97 HCAR2 (0.38) HCAR2KEAP1NFE2L2TP53ATM
SCHEMBL2079639 0.91 HCAR2 (0.54) HCAR2KEAP1NFE2L2TP53TSHR
SCHEMBL989416 0.91 HCAR2 (0.54) HCAR2KEAP1NFE2L2TP53TSHR
SCHEMBL11859589 0.91 HCAR2 (0.54) HCAR2KEAP1NFE2L2TP53TSHR
SCHEMBL29058806 0.88 TP53 (0.32) HCAR2TP53TSHR
Acrylic Acid SCHEMBL28914099 0.84 HCAR2 (0.47) HCAR2TP53TSHRALDH1A1
SCHEMBL12496608 0.83 LMNA (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070072812-A1 Quaternary salt derivatives of 1,4-diphenylazetidin-2-ones MICROBIA, INC. (US) 2007-03-29 US claimed
EP-1660456-A2 QUATERNARY SALT DERIVATIVES OF 1,4-DIPHENYLAZETIDIN-2-ONES Microbia Inc. (US) 2006-05-31 EP claimed
WO-2005021495-A2 QUATERNARY SALT DERIVATIVES OF 1,4-DIPHENYLAZETIDIN-2-ONES MICROBIA INC. (US) 2005-03-10 WO claimed
EP-2429591-A1 FLUORESCENT PHOSPHOLIPID ETHER COMPOUNDS, COMPOSITIONS, AND METHODS OF USE Cellectar, Inc. (US) 2012-03-21 EP disclosed
US-8034804-B2 (Pyrido/thieno)-[f]-oxazepine-5-one derivatives N.V. ORGANON (NL) 2011-10-11 US disclosed
WO-2010132428-A1 FLUORESCENT PHOSPHOLIPID ETHER COMPOUNDS, COMPOSITIONS, AND METHODS OF USE CELLECTAR, INC. (US) 2010-11-18 WO disclosed
US-7566778-B2 (Pyrido/thieno)-[f]-oxazepine-5-one derivatives N.V. ORGANON (NL) 2009-07-28 US disclosed
US-20090163473-A1 (PYRIDO/THIENO)-[f]-OXAZEPINE-5-ONE DERIVATIVES N.V. ORGANON 2009-06-25 US disclosed
US-7504390-B2 Benzoxazepine derivatives and their use as AMPA receptor stimulators N.V. ORGANON (NL) 2009-03-17 US disclosed
EP-1419138-B1 N- (1-DIMETHYLAMINOCYCLOALKYL)METHYL BENZAMIDE DERIVATIVES ORGANON NV (NL) 2008-10-29 EP disclosed
US-20080262221-A1 (PYRIDO/THIENO)-[f]-OXAZEPINE-5-ONE DERIVATIVES N.V. ORGANON (NL) 2008-10-23 US disclosed
US-20040171605-A1 Benzoxazepines derivatives and their use as ampa receptor stimulators MERCK SHARP & DOHME B.V. (NL) 2004-09-02 US disclosed
EP-1446407-A2 (PYRIDO/THIENO)-(F)-OXAZEPIN-5-ONE DERIVATIVES AS POSITIVE MODULATORS OF THE AMPA RECEPTOR Akzo Nobel N.V. (NL) 2004-08-18 EP disclosed
US-20040106606-A1 HIV protease inhibitors BOYER FREDERICK EARL (US) 2004-06-03 US disclosed
EP-1419138-A1 N- (1-DIMETHYLAMINOCYCLOALKYL)METHYL]BENZAMIDE DERIVATIVES Akzo Nobel (NL) 2004-05-19 EP disclosed
EP-1399450-A1 BENZOXAZEPINE DERIVATIVES AND THEIR USE AS AMPA RECEPTOR STIMULATORS Akzo Nobel N.V. (NL) 2004-03-24 EP disclosed
WO-2003010132-A1 N-[(1-DIMETHYLAMINOCYCLOALKYL)METHYL]BENZAMIDE DERIVATIVES AKZO NOBEL N.V. (NL) 2003-02-06 WO disclosed
WO-2002102808-A2 (PYRIDO/THIENO)-[f]-OXAZEPIN-5-ONE DERIVATIVES AS POSITIVE MODULATORS OF THE AMPA RECEPTOR AKZO NOBEL N.V. (NL) 2002-12-27 WO disclosed
WO-2002100865-A1 BENZOXAZEPINE DERIVATIVES AND THEIR USE AS AMPA RECEPTOR STIMULATORS AKZO NOBEL N.V. (NL) 2002-12-19 WO disclosed
US-3954858-A Novel sequestrant builders and method of making the same LEVER BROTHERS COMPANY (US) 1976-05-04 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 (5 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-20040171605-A1 Benzoxazepines derivatives and their use as ampa receptor stimulators CHRNA4, CHRNA10, CHRNA9 HCAR2 97/4885KEAP1 3929/4885NFE2L2 2285/4885
US-20070072812-A1 Quaternary salt derivatives of 1,4-diphenylazetidin-2-ones PCSK9, SLC10A1, QDPR HCAR2 3855/4885KEAP1 135/4885NFE2L2 109/4885
US-20040106606-A1 HIV protease inhibitors DNPEP, PREP, PEPD HCAR2 3508/4885KEAP1 1299/4885NFE2L2 4166/4885
US-20090163473-A1 (PYRIDO/THIENO)-[f]-OXAZEPINE-5-ONE DERIVATIVES CHRNA4, CHRNA5, CHRNA6 HCAR2 160/4885KEAP1 2124/4885NFE2L2 2488/4885
US-20080262221-A1 (PYRIDO/THIENO)-[f]-OXAZEPINE-5-ONE DERIVATIVES CHRNA4, CHRNA5, CHRNA6 HCAR2 180/4885KEAP1 2150/4885NFE2L2 2505/4885

“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.