SCHEMBL5511586

SCHEMBL5511586

CC(C)C(C(=O)O)c1ccco1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.57
POLB P06746 3/20 0.57
PTPN1 P18031 2/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
PKM P14618 1/20 0.57
PTPN7 P35236 1/20 0.57
BLM P54132 1/20 0.57
ESR2 Q92731 1/20 0.57
ALOX5 P09917 1/20 0.47
ALDH1A1 P00352 3/20 0.45
HPGD P15428 3/20 0.45
MEN1 O00255 3/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
AGTR1 P30556 1/20 0.43
CYP2C19 P33261 2/20 0.42
TSHR P16473 2/20 0.41
MIF P14174 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL1667511 0.85 KMT2A (0.53) KMT2APOLBPTPN1L3MBTL1PKM
SCHEMBL3787919 0.85 KMT2A (0.53) KMT2APOLBPTPN1L3MBTL1PKM
SCHEMBL5511046 0.79 KMT2A (0.47) KMT2APOLBPTPN1L3MBTL1PKM
SCHEMBL2480787 0.79 KMT2A (0.61) KMT2APOLBPTPN1L3MBTL1PKM
Hydrochloric Acid SCHEMBL9402317 0.78 KMT2A (0.59) KMT2APOLBPTPN1L3MBTL1PKM
SCHEMBL15291349 0.76 KMT2A (0.62) KMT2APOLBPTPN1L3MBTL1PKM
SCHEMBL19963511 0.74 KMT2A (0.55) KMT2APOLBPTPN1L3MBTL1PKM
SCHEMBL5158147 0.74 KMT2A (0.60) KMT2APOLBPTPN1L3MBTL1PKM
SCHEMBL5929575 0.74 KMT2A (0.60) KMT2APOLBPTPN1L3MBTL1PKM
SCHEMBL29219976 0.74 KMT2A (0.46) KMT2APOLBPTPN1L3MBTL1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210107910-A1 Compositions and Methods of Using the Same for Treatment of Neurodegenerative and Mitochondrial Disease MITOKININ, INC. (US) 2021-04-15 US disclosed
US-10851109-B2 Compositions and methods of using the same for treatment of neurodegenerative and mitochondrial disease MITOKININ LLC (US) 2020-12-01 US disclosed
US-20200283442-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES AND CARDIOMYOPATHY MITOKININ, INC. 2020-09-10 US disclosed
US-10723737-B2 Compositions and methods for treating neurodegenerative diseases and cardiomyopathy THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-07-28 US disclosed
US-20190194207-A1 COMPOSITIONS AND METHODS OF USING THE SAME FOR TREATMENT OF NEURODEGENERATIVE AND MITOCHONDRIAL DISEASE MITOKININ INC (US) 2019-06-27 US disclosed
US-20180072731-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES AND CARDIOMYOPATHY MITOKININ, INC. 2018-03-15 US disclosed
US-20180072731-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES AND CARDIOMYOPATHY MITOKININ, INC. 2018-03-15 US disclosed
US-20170190704-A1 COMPOSITIONS AND METHODS USING THE SAME FOR TREATMENT OF NEURODEGENERATIVE AND MITOCHONDRIAL DISEASE Mitokinin, LLC (US) 2017-07-06 US disclosed
US-20160108044-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES AND CARDIOMYOPATHY MITOKININ, INC. 2016-04-21 US disclosed
US-8367666-B2 3-carbamoyl-2-pyridone derivatives SHIONOGI & CO., LTD. (JP) 2013-02-05 US disclosed
US-8367666-B2 3-carbamoyl-2-pyridone derivatives SHIONOGI & CO., LTD. (JP) 2013-02-05 US disclosed
US-8178681-B2 methyl 3-methyl-2-{[2-oxo-1-(2-oxo-ethyl)-1,2,5,6,7,8,9,10-octahydro-cycloocta[b]pyridine-3-carbonyl]-amino}-butyrate; cannabinoid receptor agonist; antiinflammatory agent, immunostimulant, analgesic; atopic dermatitis; excellent in photostability, and have excellent transdermal and oral absorbency SHIONOGI & CO., LTD. (JP) 2012-05-15 US disclosed
US-8178681-B2 methyl 3-methyl-2-{[2-oxo-1-(2-oxo-ethyl)-1,2,5,6,7,8,9,10-octahydro-cycloocta[b]pyridine-3-carbonyl]-amino}-butyrate; cannabinoid receptor agonist; antiinflammatory agent, immunostimulant, analgesic; atopic dermatitis; excellent in photostability, and have excellent transdermal and oral absorbency SHIONOGI & CO., LTD. (JP) 2012-05-15 US disclosed
US-5250517-A Hypotensive and cardiotonic agents; cardiac insufficiency HOFFMANN-LA ROCHE INC. (US) 1993-10-05 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 (8 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-20180072731-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES AND CARDIOMYOPATHY PINK1, CKMT1A; CKMT1B, NLN KMT2A 3562/4885POLB 1319/4885PTPN1 4118/4885
US-10723737-B2 Compositions and methods for treating neurodegenerative diseases and cardiomyopathy PINK1, CKMT1A; CKMT1B, NLN KMT2A 3562/4885POLB 1319/4885PTPN1 4118/4885
US-20210107910-A1 Compositions and Methods of Using the Same for Treatment of Neurodegenerative and Mitochondrial Disease NLN, NME4, COQ8A KMT2A 3495/4885POLB 320/4885PTPN1 2007/4885
US-20160108044-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES AND CARDIOMYOPATHY PINK1, CKMT1A; CKMT1B, NLN KMT2A 3562/4885POLB 1319/4885PTPN1 4118/4885
US-20190194207-A1 COMPOSITIONS AND METHODS OF USING THE SAME FOR TREATMENT OF NEURODEGENERATIVE AND MITOCHONDRIAL DISEASE NLN, HAGH, PDF KMT2A 3986/4885POLB 416/4885PTPN1 4288/4885
US-10851109-B2 Compositions and methods of using the same for treatment of neurodegenerative and mitochondrial disease NLN, NME4, COQ8A KMT2A 3495/4885POLB 320/4885PTPN1 2007/4885
US-20200283442-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES AND CARDIOMYOPATHY SNCA, SMN1; SMN2, CLN6 KMT2A 3213/4885POLB 1984/4885PTPN1 4528/4885
US-20170190704-A1 COMPOSITIONS AND METHODS USING THE SAME FOR TREATMENT OF NEURODEGENERATIVE AND MITOCHONDRIAL DISEASE NLN, HAGH, MT-ND2 KMT2A 3971/4885POLB 285/4885PTPN1 4203/4885

“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.