SCHEMBL4580185

SCHEMBL4580185

COc1ccc(-c2ccc(/C=C/C(=O)O)cn2)cc1OC

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.63
ALDH1A1 P00352 4/20 0.63
HPGD P15428 4/20 0.63
SMN1; SMN2 Q16637 3/20 0.63
HSD17B10 Q99714 2/20 0.63
ALOX15 P16050 1/20 0.63
MAPK1 P28482 1/20 0.63
SNCA P37840 2/20 0.58
MITF O75030 1/20 0.54
KLF5 Q13887 1/20 0.54
NFE2L2 Q16236 1/20 0.51
NPC1 O15118 1/20 0.51
CASP3 P42574 1/20 0.51
RAB9A P51151 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50

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
SCHEMBL4580189 1.00 KDM4E (0.63) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL8230088 0.87 KDM4E (0.46) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL14155912 0.84 FDPS (0.47) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL7967595 0.82 KDM4E (0.77) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL7967589 0.82 KDM4E (0.77) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL3426180 0.81 ALDH1A1 (0.57) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
O,O'-Dimethylcaffeic Acid SCHEMBL81318 0.79 KDM4E (1.00) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
O,O'-Dimethylcaffeic Acid SCHEMBL81317 0.79 KDM4E (1.00) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
O,O'-Dimethylcaffeic Acid SCHEMBL29636389 0.79 KDM4E (1.00) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL1066737 0.79 HDAC1 (0.66)

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-2007720-B1 BENZAMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2013-12-25 EP disclosed
US-8598168-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2013-12-03 US disclosed
EP-2007720-A1 BENZAMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2008-12-31 EP disclosed
US-20080132503-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-06-05 US disclosed
US-20080132503-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-06-05 US disclosed
US-20080132503-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-06-05 US disclosed
WO-2007118137-A1 BENZAMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2007-10-18 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-20080132503-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 KDM4E 123/4885ALDH1A1 796/4885HPGD 1023/4885

“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.