SCHEMBL976326

SCHEMBL976326

CCOC(=O)c1ccccc1-c1cccc(C(=O)O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.54
SCN1A P35498 2/20 0.51
SCN2A Q99250 2/20 0.51
SCN3A Q9NY46 2/20 0.51
MAPT P10636 2/20 0.51
ALOX15 P16050 2/20 0.51
ALDH1A1 P00352 1/20 0.51
GAA P10253 1/20 0.51
HPGD P15428 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HSD17B10 Q99714 1/20 0.51
PTPN11 Q06124 1/20 0.51
ERN1 O75460 1/20 0.49
PTGER1 P34995 1/20 0.49
FOLH1 Q04609 1/20 0.49
KMO O15229 1/20 0.49
CCR6 P51684 1/20 0.48
NR1H4 Q96RI1 1/20 0.48
MEN1 O00255 1/20 0.48

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
SCHEMBL4059888 0.89 TSHR (0.54) TSHRSCN1ASCN2ASCN3AMAPT
SCHEMBL12922057 0.88 TSHR (0.53) TSHRSCN1ASCN2ASCN3AMAPT
SCHEMBL27686775 0.87 TSHR (0.59) TSHRSCN1ASCN2ASCN3AMAPT
SCHEMBL396552 0.85 TSHR (0.69) TSHRSCN1ASCN2ASCN3AMAPT
SCHEMBL975273 0.84 TSHR (0.49) TSHRSCN1ASCN2ASCN3AMAPT
SCHEMBL2159619 0.84 SLC6A3 (0.60) TSHRMAPTALDH1A1GAAHPGD
SCHEMBL3947570 0.84 TSHR (0.59) TSHRSCN1ASCN2ASCN3AMAPT
Bicarbonate SCHEMBL27449726 0.84 TSHR (0.67) TSHRSCN1ASCN2ASCN3AMAPT
SCHEMBL27686802 0.82 TSHR (0.65) TSHRSCN1ASCN2ASCN3AMAPT
SCHEMBL7710797 0.81 ALDH1A1 (0.57) TSHRSCN1ASCN2ASCN3AMAPT

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
US-8673911-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2014-03-18 US disclosed
US-8673911-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2014-03-18 US 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-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2014-02-13 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
EP-2217588-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2010-08-18 EP disclosed
WO-2009055917-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2009-05-07 WO disclosed
WO-2009055917-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2009-05-07 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 (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 TSHR 2697/4885SCN1A 892/4885SCN2A 1649/4885
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC3 TSHR 2697/4885SCN1A 892/4885SCN2A 1649/4885

“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.