SCHEMBL2199971

SCHEMBL2199971

CCCCCc1c(O)n(C)c(=O)n(C)c1=O

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.54
ALDH1A1 P00352 3/20 0.54
MAPT P10636 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
GPR84 Q9NQS5 8/20 0.41
POLB P06746 1/20 0.38
ADORA2A P29274 1/20 0.37
LMNA P02545 2/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TYR P14679 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL17070902 0.95 KDM4E (0.51) KDM4EALDH1A1MAPTCYP1A2CYP2C9
SCHEMBL10838932 0.73 CYP1A2 (0.43) KDM4EALDH1A1MAPTCYP1A2CYP2C9
SCHEMBL10020194 0.68 AOC3 (0.51) KDM4EALDH1A1MAPTCYP1A2CYP2C9
SCHEMBL10216413 0.68 MAPT (0.44) KDM4EALDH1A1MAPTCYP1A2CYP2C9
SCHEMBL12432433 0.66 KDM4E (0.47) KDM4EALDH1A1ADORA2ALMNAHPGD
SCHEMBL12432432 0.66 KDM4E (0.47) KDM4EALDH1A1ADORA2ALMNAHPGD
SCHEMBL12432437 0.66 KDM4E (0.47) KDM4EALDH1A1ADORA2ALMNAHPGD
SCHEMBL1861019 0.66 MAPT (0.43) KDM4EALDH1A1MAPTCYP1A2CYP2C9
SCHEMBL5238889 0.65 KDM4E (0.44) KDM4EALDH1A1HPGDHSD17B10TYR
SCHEMBL2515838 0.64 TYMP (0.44) KDM4EALDH1A1GPR84HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8222381-B2 Derivatives of monosaccharides for drug discovery ALCHEMIA LIMITED (AU) 2012-07-17 US claimed
US-20060167237-A1 Derivatives of monosaccharides for drug discovery ALCHEMIA LIMITED (AU) 2006-07-27 US claimed
EP-1539780-A1 DERIVATIVES OF MONOSACCHARIDES FOR DRUG DISCOVERY Alchemia Limited (AU) 2005-06-15 EP claimed
WO-2004014929-A1 DERIVATIVES OF MONOSACCHARIDES FOR DRUG DISCOVERY ALCHEMIA LIMITED (AU) 2004-02-19 WO claimed
US-9709571-B2 Method of drug design VAST BIOSCIENCE PTY LIMITED (AU) 2017-07-18 US disclosed
US-20130172210-A1 METHOD OF DRUG DESIGN ALCHEMIA LIMITED (AU) 2013-07-04 US disclosed
US-8426345-B2 Method of drug design ALCHEMIA LIMITED (AU) 2013-04-23 US disclosed
EP-2545923-A1 Antibacterial agents Alchemia Limited (AU) 2013-01-16 EP disclosed
EP-1934388-B1 METHOD OF DRUG DESIGN ALCHEMIA LTD (AU) 2012-12-05 EP disclosed
US-8222381-B2 Derivatives of monosaccharides for drug discovery ALCHEMIA LIMITED (AU) 2012-07-17 US disclosed
US-7989422-B2 Antibacterial agents ALCHEMIA LIMITED (AU) 2011-08-02 US disclosed
US-20110165700-A1 CLASSES OF COMPOUNDS THAT INTERACT WITH INTEGRINS ALCHEMIA LIMITED (AU) 2011-07-07 US disclosed
WO-2007070947-A1 ANTIBACTERIAL AGENTS ALCHEMIA LTD (AU) 2007-06-28 WO disclosed
EP-1797428-A1 SELECTIVE INHIBITORS Alchemia Pty Ltd (AU) 2007-06-20 EP disclosed
WO-2007038829-A1 METHOD OF DRUG DESIGN ALCHEMIA LTD (AU) 2007-04-12 WO disclosed
WO-2006081616-A1 CLASSES OF COMPOUNDS THAT INTERACT WITH INTEGRINS ALCHEMIA LIMITED (AU) 2006-08-10 WO disclosed
US-20060167237-A1 Derivatives of monosaccharides for drug discovery ALCHEMIA LIMITED (AU) 2006-07-27 US disclosed
WO-2006037159-A1 SELECTIVE INHIBITORS ALCHEMIA LIMITED (AU) 2006-04-13 WO disclosed
EP-1539780-A1 DERIVATIVES OF MONOSACCHARIDES FOR DRUG DISCOVERY Alchemia Limited (AU) 2005-06-15 EP disclosed
WO-2004014929-A1 DERIVATIVES OF MONOSACCHARIDES FOR DRUG DISCOVERY ALCHEMIA LIMITED (AU) 2004-02-19 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 (1 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-20060167237-A1 Derivatives of monosaccharides for drug discovery FBP1, UGGT1, FUT6 KDM4E 3797/4885ALDH1A1 554/4885MAPT 3867/4885

“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.