SCHEMBL746754

SCHEMBL746754

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

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 10/20 0.68
TSHR P16473 2/20 0.41
TP53 P04637 2/20 0.41
EGLN1 Q9GZT9 1/20 0.41
EGLN3 Q9H6Z9 1/20 0.41
ALDH1A1 P00352 3/20 0.40
GAA P10253 1/20 0.40
GABRP O00591 2/20 0.38
GABRD O14764 2/20 0.38
GABRA1 P14867 2/20 0.38
GABRB1 P18505 2/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
GABRA5 P31644 2/20 0.38
GABRA3 P34903 2/20 0.38
GABRA2 P47869 2/20 0.38
GABRB2 P47870 2/20 0.38
GABRA4 P48169 2/20 0.38
GABRE P78334 2/20 0.38
GABRA6 Q16445 2/20 0.38

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
SCHEMBL9384917 1.00 HCAR2 (0.68) HCAR2TSHRTP53EGLN1EGLN3
Fumaric Acid SCHEMBL11157367 0.85 HCAR2 (0.50) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL2114189 0.84 HCAR2 (0.56) HCAR2ALDH1A1GAAKDM4EMAPT
SCHEMBL2114191 0.84 HCAR2 (0.56) HCAR2ALDH1A1GAAKDM4EMAPT
SCHEMBL19107085 0.83 HCAR2 (0.47) HCAR2TP53TDP1KEAP1NFE2L2
SCHEMBL9329288 0.82 HCAR2 (0.45) HCAR2TP53MMP1MMP2MMP3
Isopropyl Fumarate SCHEMBL313612 0.81 HCAR2 (1.00) HCAR2TSHRTP53EGLN1EGLN3
Isopropyl Fumarate SCHEMBL690596 0.81 HCAR2 (1.00) HCAR2TSHRTP53EGLN1EGLN3
Isopropyl Fumarate SCHEMBL313613 0.81 HCAR2 (1.00) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL12059695 0.81 HCAR2 (0.74) HCAR2TSHRTP53EGLN1EGLN3

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 32 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-20090117144-A1 Recombinant flu vaccines PFENEX, INC. 2009-05-07 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-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
US-6645956-B1 1-(5-(4-fluorobenzyl)furan-2-yl)-3-hydroxy-3-(1H-1,2,4-triazol-3 -yl)-propenone; viricides; AIDS treatment SHIONOGI & CO., LTD. (JP) 2003-11-11 US 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

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-20040171605-A1 Benzoxazepines derivatives and their use as ampa receptor stimulators CHRNA4, CHRNA10, CHRNA9 HCAR2 97/4885TSHR 251/4885TP53 4783/4885
US-20070072812-A1 Quaternary salt derivatives of 1,4-diphenylazetidin-2-ones PCSK9, SLC10A1, QDPR HCAR2 3855/4885TSHR 4269/4885TP53 2699/4885
US-20040106606-A1 HIV protease inhibitors DNPEP, PREP, PEPD HCAR2 3508/4885TSHR 4861/4885TP53 2327/4885
US-20090163473-A1 (PYRIDO/THIENO)-[f]-OXAZEPINE-5-ONE DERIVATIVES CHRNA4, CHRNA5, CHRNA6 HCAR2 160/4885TSHR 139/4885TP53 4639/4885

“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.