SCHEMBL3578987

SCHEMBL3578987

CCOC(=O)/C(O)=C/C(=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.54
ALDH1A1 P00352 4/20 0.54
KMT2A Q03164 7/20 0.53
MEN1 O00255 6/20 0.53
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA9 Q16790 1/20 0.52
HDAC1 Q13547 2/20 0.50
HDAC2 Q92769 2/20 0.50
NFE2L2 Q16236 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HDAC3 O15379 1/20 0.47
NCOR2 Q9Y618 1/20 0.47
RAB9A P51151 2/20 0.47
MAPK1 P28482 1/20 0.47
NPC1 O15118 2/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46

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
SCHEMBL3578988 1.00 MAPT (0.54) MAPTALDH1A1KMT2AMEN1CA12
SCHEMBL4016111 1.00 MAPT (0.54) MAPTALDH1A1KMT2AMEN1CA12
SCHEMBL934862 0.91 MEN1 (0.47) MAPTALDH1A1KMT2AMEN1CA12
SCHEMBL934861 0.91 MEN1 (0.47) MAPTALDH1A1KMT2AMEN1CA12
SCHEMBL6115747 0.88 ALDH1A1 (0.48) MAPTALDH1A1KMT2AMEN1CA12
SCHEMBL6115744 0.88 ALDH1A1 (0.48) MAPTALDH1A1KMT2AMEN1CA12
SCHEMBL933234 0.86 GPR52 (0.47) MAPTALDH1A1KMT2AMEN1CA12
SCHEMBL933233 0.86 GPR52 (0.47) MAPTALDH1A1KMT2AMEN1CA12
SCHEMBL933237 0.85 MAPT (0.45) MAPTALDH1A1KMT2AMEN1CA12
SCHEMBL933235 0.85 MAPT (0.45) MAPTALDH1A1KMT2AMEN1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190119193-A1 COMPOSITION FOR REGULATING PLANT GROWTH, METHOD FOR TREATING PLANTS THEREWITH, AND ACTIVE INGREDIENT THEREOF Ivan Aleksandrovich Starikov 2019-04-25 US disclosed
EP-3473098-A1 COMPOSITION FOR REGULATING PLANT GROWTH, METHOD FOR TREATING PLANTS THEREWITH, AND ACTIVE INGREDIENT THEREOF Gorbunov, Sergei Valeryevich (RU) 2019-04-24 EP disclosed
WO-2017210685-A1 PYRADAZINONE DERIVATIVES AND THE COMPOSITIONS AND METHODS OF TREATMENT REGARDING THE SAME An2H Discovery Limited (IE) 2017-12-07 WO disclosed
US-9096532-B2 Pyrazole inhibitors of COX-2 and sEH THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-08-04 US disclosed
US-20140171444-A1 Inhibitors of Mycobacterium Tuberculosis Malate Synthase, Methods of Making and Uses Thereof THE TEXAS A&M UNIVERSITY SYSTEM (US) 2014-06-19 US disclosed
US-20140171444-A1 Inhibitors of Mycobacterium Tuberculosis Malate Synthase, Methods of Making and Uses Thereof THE TEXAS A&M UNIVERSITY SYSTEM (US) 2014-06-19 US disclosed
US-8664255-B2 Inhibitors of mycobacterium tuberculosis malate synthase, methods of making and uses thereof THE TEXAS A&M UNIVERSITY SYSTEM (US) 2014-03-04 US disclosed
US-8664255-B2 Inhibitors of mycobacterium tuberculosis malate synthase, methods of making and uses thereof THE TEXAS A&M UNIVERSITY SYSTEM (US) 2014-03-04 US disclosed
US-20140038923-A1 PYRAZOLE INHIBITORS OF COX-2 AND SEH THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-02-06 US disclosed
WO-2012082647-A2 PYRAZOLE INHIBITORS OF COX-2 AND sEH THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-06-21 WO disclosed
US-20090069288-A1 Novel therapeutic compounds ABBVIE INC. 2009-03-12 US disclosed
US-20090069288-A1 Novel therapeutic compounds ABBVIE INC. 2009-03-12 US disclosed
WO-2009011850-A2 NOVEL THERAPEUTIC COMPOUNDS ABBOTT LABORATORIES (US) 2009-01-22 WO disclosed
EP-1874287-A2 COMPOUNDS AND COMPOSITIONS FOR USE IN THE PREVENTION AND TREATMENT OF OBESITY AND RELATED SYNDROMES Innodia Inc. (CA) 2008-01-09 EP disclosed
EP-1858840-A2 ANALOGS OF 4-HYDROXYISOLEUCINE AND USES THEREOF Innodia Inc. (CA) 2007-11-28 EP disclosed
WO-2007107008-A1 COMPOUNDS AND COMPOSITIONS FOR USE IN THE PREVENTION AND TREATMENT OF DISORDERS OF FAT METABOLISM AND OBESITY INNODIA INC. (CA) 2007-09-27 WO disclosed
WO-2006131836-A2 COMPOUNDS AND COMPOSITIONS FOR USE IN THE PREVENTION AND TREATMENT OF OBESITY AND RELATED SYNDROMES INNODIA INC. (US) 2006-12-14 WO disclosed
WO-2006120574-A2 ANALOGS OF 4-HYDROXYISOLEUCINE AND USES THEREOF INNODIA INC. (CA) 2006-11-16 WO disclosed
US-20060223884-A1 Compounds and compositions for use in the prevention and treatment of obesity and related syndromes INVESTISSEMENT QUEBEC (CA) 2006-10-05 US disclosed
US-20060199853-A1 Analogs of 4-hydroxyisoleucine and uses thereof UNIVERSITE LOUIS PASTEUR STRASBOURG I (FR) 2006-09-07 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 (6 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-20190119193-A1 COMPOSITION FOR REGULATING PLANT GROWTH, METHOD FOR TREATING PLANTS THEREWITH, AND ACTIVE INGREDIENT THEREOF OGDH, GOT1, OAT MAPT 4118/4885ALDH1A1 666/4885KMT2A 1903/4885
US-20060223884-A1 Compounds and compositions for use in the prevention and treatment of obesity and related syndromes GPR119, HSD3B1, PC MAPT 4044/4885ALDH1A1 600/4885KMT2A 1556/4885
US-20060199853-A1 Analogs of 4-hydroxyisoleucine and uses thereof GPR119, SLC2A1, SLC5A1 MAPT 4338/4885ALDH1A1 615/4885KMT2A 2675/4885
US-20140038923-A1 PYRAZOLE INHIBITORS OF COX-2 AND SEH PTGES2, PTGS2, PTGES3 MAPT 3652/4885ALDH1A1 1553/4885KMT2A 2914/4885
US-20140171444-A1 Inhibitors of Mycobacterium Tuberculosis Malate Synthase, Methods of Making and Uses Thereof ME3, ME1, MDH1 MAPT 1964/4885ALDH1A1 620/4885KMT2A 1733/4885
US-20090069288-A1 Novel therapeutic compounds MAP3K20, RPS6KB1, MAP3K1 MAPT 3755/4885ALDH1A1 1426/4885KMT2A 3833/4885

“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.