SCHEMBL822848

SCHEMBL822848

CC(=O)CCC(=O)c1ccc(C)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.70
GSK3B P49841 1/20 0.57
CTNNB1 P35222 4/20 0.56
WNT3A P56704 4/20 0.56
SMN1; SMN2 Q16637 2/20 0.55
KDM4E B2RXH2 1/20 0.55
HPGD P15428 1/20 0.55
MEN1 O00255 3/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
POLB P06746 1/20 0.51
TP53 P04637 1/20 0.51
THRB P10828 1/20 0.51
ALDH1A1 P00352 2/20 0.50
LMNA P02545 1/20 0.50
ATM Q13315 1/20 0.50
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
PKM P14618 1/20 0.49
MAPT P10636 1/20 0.48

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
SCHEMBL16552778 0.91 KMT2A (0.83) KMT2AGSK3BCTNNB1WNT3ASMN1; SMN2
SCHEMBL11686001 0.91 SMN1; SMN2 (0.62) KMT2ASMN1; SMN2KDM4EHPGDNPC1
P-Xylene SCHEMBL28175467 0.88 KMT2A (0.61) KMT2ACTNNB1WNT3ASMN1; SMN2KDM4E
SCHEMBL18132972 0.86 KMT2A (0.58) KMT2AGSK3BCTNNB1WNT3AMEN1
SCHEMBL8536042 0.85 SMN1; SMN2 (0.53) KMT2AGSK3BCTNNB1WNT3ASMN1; SMN2
SCHEMBL3141694 0.84 SMN1; SMN2 (0.56) KMT2ASMN1; SMN2KDM4EHPGDNPC1
SCHEMBL8269520 0.83 KMT2A (0.77) KMT2AGSK3BCTNNB1WNT3ASMN1; SMN2
Succinic Acid SCHEMBL8467793 0.83 KMT2A (1.00) KMT2AGSK3BCTNNB1WNT3ASMN1; SMN2
SCHEMBL16922187 0.83 KMT2A (1.00) KMT2AGSK3BCTNNB1WNT3ASMN1; SMN2
SCHEMBL8532385 0.83 HSD17B3 (0.67) KMT2ASMN1; SMN2KDM4EHPGDNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10787484-B2 Compositions and methods for treating cardiovascular disease GENENTECH, INC. (US) 2020-09-29 US disclosed
US-20190177366-A1 COMPOSITIONS AND METHODS FOR TREATING CARDIOVASCULAR DISEASE GENENTECH, INC. (US) 2019-06-13 US disclosed
US-9580571-B2 Aromatic acylation with cyclic anhydride for plasticizer production EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2017-02-28 US disclosed
US-9512296-B2 Aromatic acylation with cyclic anhydride for plasticizer production EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2016-12-06 US disclosed
US-8703811-B2 Small molecule inhibitors of Plasmodium falciparum dihydroorotate dehydrogenase GENZYME CORPORATION (US) 2014-04-22 US disclosed
US-8674115-B2 CRTH2 modulators IRONWOOD PHARMACEUTICALS, INC. (US) 2014-03-18 US disclosed
US-20110286922-A1 IMAGING AND RADIOTHERAPY METHODS GENERAL ELECTRIC COMPANY 2011-11-24 US disclosed
US-20110160371-A1 AROMATIC ACYLATION WITH CYCLIC ANHYDRIDE FOR PLASTICIZER PRODUCTION EXXONMOBILE RESEARCH AND ENGINEERING COMPANY (US) 2011-06-30 US disclosed
US-20110150834-A1 CRTH2 MODULATORS WELLS FARGO BANK, NATIONAL ASSOCIATION 2011-06-23 US disclosed
US-20110130381-A1 SMALL MOLECULE INHIBITORS OF PLASMODIUM FALCIPARUM DIHYDROOROTATE DEHYDROGENASE GENZYME CORPORATION 2011-06-02 US disclosed
US-7695863-B2 rechargeable batteries having excellent battery cycle properties, electrical capacity and storage characteristic during charging, comprising electrodes and a nonaqueous electrolytic solution containing a dicarbonyl compound as an additive UBE INDUSTRIES, LTD. (JP) 2010-04-13 US disclosed
CN-100566005-C The lithium secondary battery of nonaqueous electrolyte solution and this solution of use UBE INDUSTRIES (JP) 2009-12-02 CN disclosed
US-20090176777-A1 Imidazo (1,2-a)Pyridin-3-YL-Acetic Acid Hydrazides, Proesses for Their Preparation and Pharmaceutical Uses Thereof FERRER INTERNACIONAL, S.A. (ES) 2009-07-09 US disclosed
US-20080102377-A1 rechargeable batteries having excellent battery cycle properties, electrical capacity and storage characteristic during charging, comprising electrodes and a nonaqueous electrolytic solution containing a dicarbonyl compound as an additive UBE INDUSTRIES, LTD (JP) 2008-05-01 US disclosed
CN-101091283-A Nonaqueous electrolytic solution and lithium secondary battery using the same UBE INDUSTRIES (JP) 2007-12-19 CN disclosed
EP-0592881-B1 Process for producing optically active gamma-hydroxyketones TAKASAGO PERFUMERY CO LTD (JP) 1998-05-20 EP disclosed
US-5349107-A Ruthenium optically active phosphine complex TAKASAGO INTERNATIONAL CORPORATION (JP) 1994-09-20 US disclosed
EP-0592881-A2 Process for producing optically active gamma-hydroxyketones Takasago International Corporation (JP) 1994-04-20 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 (7 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-20110160371-A1 AROMATIC ACYLATION WITH CYCLIC ANHYDRIDE FOR PLASTICIZER PRODUCTION ACAD11, ACOT7, ACOX3 KMT2A 247/4885GSK3B 4689/4885CTNNB1 4876/4885
US-20110130381-A1 SMALL MOLECULE INHIBITORS OF PLASMODIUM FALCIPARUM DIHYDROOROTATE DEHYDROGENASE DHODH, DLD, MDH1 KMT2A 1599/4885GSK3B 3118/4885CTNNB1 4468/4885
US-20110286922-A1 IMAGING AND RADIOTHERAPY METHODS ALDH2, ALDH3A1, ALDH1A1 KMT2A 1972/4885GSK3B 3759/4885CTNNB1 3163/4885
US-20110150834-A1 CRTH2 MODULATORS HRH2, HRH1, NR1H2 KMT2A 3695/4885GSK3B 3293/4885CTNNB1 2240/4885
US-20090176777-A1 Imidazo (1,2-a)Pyridin-3-YL-Acetic Acid Hydrazides, Proesses for Their Preparation and Pharmaceutical Uses Thereof GABRA3, GABRA1, GABRA2 KMT2A 895/4885GSK3B 1892/4885CTNNB1 3563/4885
US-10787484-B2 Compositions and methods for treating cardiovascular disease PCSK9, PCSK7, PCSK6 KMT2A 2277/4885GSK3B 94/4885CTNNB1 601/4885
US-20190177366-A1 COMPOSITIONS AND METHODS FOR TREATING CARDIOVASCULAR DISEASE PCSK9, PCSK7, PCSK6 KMT2A 2277/4885GSK3B 94/4885CTNNB1 601/4885

“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.