SCHEMBL2873996

SCHEMBL2873996

O=C(O)C(c1ccccc1)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.60
NR4A2 P43354 1/20 0.60
NR4A3 Q92570 1/20 0.60
PPARG P37231 2/20 0.59
PPARA Q07869 2/20 0.59
LMNA P02545 1/20 0.58
CYP1A2 P05177 1/20 0.58
PTGS1 P23219 1/20 0.58
SLC6A2 P23975 1/20 0.58
CYP2C19 P33261 1/20 0.58
PTGS2 P35354 1/20 0.58
SLC6A3 Q01959 1/20 0.58
HIF1A Q16665 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58
MAOB P27338 1/20 0.57
PARP10 Q53GL7 1/20 0.57
ALOX5 P09917 1/20 0.56
FFAR1 O14842 2/20 0.55
SRD5A2 P31213 1/20 0.55
FFAR4 Q5NUL3 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
SCHEMBL10999770 0.98 NR4A1 (0.62) NR4A1NR4A2NR4A3PPARGPPARA
SCHEMBL7761599 0.85 NR4A1 (0.62) NR4A1NR4A2NR4A3PPARGPPARA
SCHEMBL2841929 0.84 HDAC6 (0.62) NR4A1NR4A2NR4A3LMNACYP1A2
SCHEMBL2840120 0.84 LTA4H (0.59) NR4A1NR4A2NR4A3LMNAMAOB
SCHEMBL5097976 0.84 NR4A2 (0.65) NR4A2MAOBPARP10FFAR1
SCHEMBL11490483 0.83 NR4A1 (0.60) NR4A1NR4A2NR4A3PPARGPPARA
SCHEMBL5722245 0.83 NR4A1 (0.60) NR4A1NR4A2NR4A3PPARGPPARA
SCHEMBL2848849 0.83 NR4A1 (0.60) NR4A1NR4A2NR4A3PPARGPPARA
SCHEMBL2848847 0.83 NR4A1 (0.60) NR4A1NR4A2NR4A3PPARGPPARA
SCHEMBL3983305 0.82 FFAR1 (0.64) NR4A1NR4A2NR4A3LMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2139850-B1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2018-09-12 EP disclosed
US-9096565-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2015-08-04 US disclosed
US-9096565-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2015-08-04 US disclosed
US-9096565-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2015-08-04 US disclosed
EP-2139850-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2010-01-06 EP disclosed
US-20090181943-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2009-07-16 US disclosed
US-20090181943-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2009-07-16 US disclosed
US-20090181943-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2009-07-16 US disclosed
WO-2008122115-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2008-10-16 WO disclosed
WO-2008122115-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2008-10-16 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-20090181943-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC11, HDAC3 NR4A1 175/4885NR4A2 896/4885NR4A3 652/4885

“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.