SCHEMBL975812

SCHEMBL975812

NC(=O)c1c(O)cccc1-c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 2/20 0.55
ALDH1A1 P00352 3/20 0.54
HPGD P15428 3/20 0.54
HSD17B10 Q99714 3/20 0.54
BCL2L1 Q07817 1/20 0.54
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
HNF4A P41235 1/20 0.47
MAPT P10636 2/20 0.45
TSHR P16473 2/20 0.45
KDM4E B2RXH2 1/20 0.45
BACE1 P56817 3/20 0.45
FOLH1 Q04609 1/20 0.44
FGFR1 P11362 1/20 0.43
SRC P12931 1/20 0.43
FGFR2 P21802 1/20 0.43

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
SCHEMBL6842022 0.88 BCAT2 (0.63) BCAT2ALDH1A1HPGDHSD17B10BCL2L1
SCHEMBL3453136 0.85 BCAT2 (0.50) BCAT2ALDH1A1HPGDHSD17B10BCL2L1
SCHEMBL3264678 0.84 CA12 (0.64) BCAT2ALDH1A1HPGDHSD17B10BCL2L1
SCHEMBL1250167 0.81 BCAT2 (0.55) BCAT2ALDH1A1HSD17B10HNF4AMAPT
SCHEMBL7754530 0.81 ALDH1A1 (0.54) BCAT2ALDH1A1HPGDHSD17B10BCL2L1
SCHEMBL15509403 0.81 THRB (0.63) BCAT2ALDH1A1HPGDHSD17B10BCL2L1
SCHEMBL901580 0.81 BCAT2 (0.71) BCAT2ALDH1A1HPGDHSD17B10HNF4A
SCHEMBL5471293 0.80 ALDH1A1 (0.48) BCAT2ALDH1A1HPGDHSD17B10BCL2L1
SCHEMBL570758 0.79 BCAT2 (0.63) BCAT2ALDH1A1HPGDHSD17B10HNF4A
SCHEMBL7085409 0.79 BCAT2 (0.53) BCAT2ALDH1A1HSD17B10HNF4AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2217588-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2010-08-18 EP claimed
WO-2009055917-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2009-05-07 WO claimed
EP-4267539-A1 HISTONE DEACETYLASE INHIBITORS The University of Queensland (AU) 2023-11-01 EP disclosed
WO-2022133551-A1 HISTONE DEACETYLASE INHIBITORS THE UNIVERSITY OF QUEENSLAND (AU) 2022-06-30 WO disclosed
US-8673911-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2014-03-18 US disclosed
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2014-02-13 US disclosed
US-20110021771-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2011-01-27 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 (2 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-20110021771-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC3 BCAT2 2873/4885ALDH1A1 699/4885HPGD 326/4885
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC3 BCAT2 2873/4885ALDH1A1 699/4885HPGD 326/4885

“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.