SCHEMBL12499737

SCHEMBL12499737

CCOC(=O)/C=C/c1ccc2c(c1)OCCO2

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.62
CNR2 P34972 1/20 0.62
ALDH1A1 P00352 6/20 0.60
GAA P10253 1/20 0.60
TTR P02766 1/20 0.59
DPP4 P27487 1/20 0.59
HPGD P15428 2/20 0.59
MAPT P10636 6/20 0.56
RAB9A P51151 5/20 0.56
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA7 P43166 1/20 0.56
CA9 Q16790 1/20 0.56
CA14 Q9ULX7 1/20 0.56
ALOX5 P09917 1/20 0.56
NPC1 O15118 3/20 0.56
KMT2A Q03164 2/20 0.55
MAPK1 P28482 1/20 0.55
HTT P42858 1/20 0.55

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
SCHEMBL11014364 1.00 KDM4E (0.62) KDM4ECNR2ALDH1A1GAATTR
SCHEMBL3565700 0.92 KDM4E (0.72) KDM4EALDH1A1GAATTRDPP4
SCHEMBL3565699 0.92 KDM4E (0.72) KDM4EALDH1A1GAATTRDPP4
SCHEMBL34468091 0.92 KDM4E (0.72) KDM4EALDH1A1GAATTRDPP4
SCHEMBL13096725 0.91 CNR2 (0.71) KDM4ECNR2ALDH1A1HPGDMAPT
SCHEMBL2871517 0.85 TTR (0.56) KDM4ECNR2ALDH1A1GAATTR
SCHEMBL338476 0.85 TTR (0.56) KDM4ECNR2ALDH1A1GAATTR
SCHEMBL30970380 0.84 KDM4E (0.83) KDM4EALDH1A1GAATTRHPGD
SCHEMBL6071506 0.84 KDM4E (0.83) KDM4EALDH1A1GAATTRHPGD
SCHEMBL10733568 0.83 MAOB (0.71) KDM4ECNR2ALDH1A1HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9765054-B2 Histone deacetylase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2017-09-19 US disclosed
US-20140163009-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI Foundation (US) 2014-06-12 US disclosed
EP-2667709-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI Foundation, Inc. (US) 2013-12-04 EP disclosed
WO-2012103008-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. (US) 2012-08-02 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-20140163009-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF HDAC1, HDAC7, HDAC5 KDM4E 166/4885CNR2 4653/4885ALDH1A1 559/4885

“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.