SCHEMBL2844054

SCHEMBL2844054

O=CC(c1ccccc1)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.53
CYP1A2 P05177 1/20 0.53
PTGS1 P23219 1/20 0.53
SLC6A2 P23975 1/20 0.53
CYP2C19 P33261 1/20 0.53
PTGS2 P35354 1/20 0.53
SLC6A3 Q01959 1/20 0.53
HIF1A Q16665 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
BCHE P06276 2/20 0.53
MAOB P27338 2/20 0.51
GAA P10253 1/20 0.51
MAPT P10636 1/20 0.51
MAOA P21397 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
NR4A1 P22736 1/20 0.51
NR4A2 P43354 1/20 0.51
NR4A3 Q92570 1/20 0.51

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
SCHEMBL8505922 1.00 LMNA (0.53) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL8505924 1.00 LMNA (0.53) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL1419820 0.91 MEN1 (0.53) BCHEMAOBRAB9ASMN1; SMN2
SCHEMBL3939550 0.91 MEN1 (0.49) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL7492214 0.88 MAPK1 (0.54) BCHERAB9A
SCHEMBL17239662 0.86 PPARG (0.42) LMNABCHERAB9ASMN1; SMN2
SCHEMBL6176982 0.84 FFAR1 (0.44) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL14672534 0.84 RAB9A (0.45) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL1557014 0.82 BCHE (0.51) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL41221 0.82 LMNA (0.51) LMNACYP1A2PTGS1SLC6A2CYP2C19

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 15 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
CN-1058014-C New heterocyclic spiro compounds, process for preparation thereof, and pharmaceutical compositions containing them ADIR ET CO (FR) 2000-11-01 CN disclosed
EP-0743312-B1 Spiroheterocyclic compounds, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 1999-11-17 EP disclosed
US-5698567-A LIPOXYGENASE INHIBITOR ADIR ET COMPAGNIE (FR) 1997-12-16 US disclosed
CN-1136568-A New heterocyclic spiro compounds, process for preparation thereof, and pharmaceutical compositions containing them ADIR (FR) 1996-11-27 CN disclosed
EP-0743312-A1 Spiroheterocyclic compounds, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1996-11-20 EP 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 LMNA 424/4885CYP1A2 1036/4885PTGS1 2253/4885

“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.