SCHEMBL16317866

SCHEMBL16317866

COC(=O)c1cc(C)c(Oc2ccccc2C(=O)OC)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A3 Q01959 3/20 0.47
▸ ALDH1A1 P00352 4/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ KMT2A Q03164 4/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ HPGD P15428 2/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ MAPT P10636 3/20 0.43
▸ HTT P42858 2/20 0.43
▸ HSP90AA1 P07900 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ TSHR P16473 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ SLC6A4 P31645 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.41
▸ CFTR P13569 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA5A P35218 1/20 0.41

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
SCHEMBL1364828 0.81 USP10 (0.54) SLC6A3ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL2441955 0.78 SLC6A3 (0.65) SLC6A3ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL4386585 0.77 SLC6A3 (0.56) SLC6A3ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL16302061 0.72 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2KMT2AHPGDL3MBTL1
SCHEMBL30114910 0.72 HTT (0.71) SLC6A3ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL2540179 0.72 CTNNB1 (0.62) SLC6A3SMN1; SMN2KMT2AMEN1L3MBTL1
SCHEMBL13813927 0.72 SLC6A3 (0.72) SLC6A3ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL432 0.71 MEN1 (0.56) SLC6A3ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL8949746 0.71 MEN1 (0.50) SLC6A3ALDH1A1SMN1; SMN2KMT2AMEN1
Methyl 2-Methoxybenzoate SCHEMBL196037 0.70 TSHR (0.69) SLC6A3ALDH1A1SMN1; SMN2KMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170000749-A1 Methods for Treating Cognitive Disorders Using Inhibitors of Histone Deacetylase FMR LLC 2017-01-05 — — US disclosed
US-20160222026-A1 Dibenzo[B,F][1,4]oxazepin-11-yl-N-Hydroxybenzamides as HDAC Inhibitors FMR LLC 2016-08-04 — — US disclosed
US-20150080325-A1 METHODS FOR TREATING COGNITIVE DISORDERS USING INHIBITORS OF HISTONE DEACETYLASE ENVIVO PHARMACEUTICALS, INC. (US) 2015-03-19 — — US disclosed
US-8399452-B2 Anticancer agents; antiproliferative agenst; antiprotozoa agents METHYLGENE INC. (CA) 2013-03-19 — — US disclosed
US-20110196147-A1 INHIBITORS OF HISTONE DEACETYLASE FMR LLC 2011-08-11 — — US disclosed
US-20080207590-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-08-28 — — 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 (5 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-20080207590-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC11 SLC6A3 4462/4885ALDH1A1 540/4885SMN1; SMN2 4142/4885
US-20150080325-A1 METHODS FOR TREATING COGNITIVE DISORDERS USING INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC5, HDAC2 SLC6A3 457/4885ALDH1A1 1127/4885SMN1; SMN2 1726/4885
US-20170000749-A1 Methods for Treating Cognitive Disorders Using Inhibitors of Histone Deacetylase HDAC5, KAT2A, HDAC1 SLC6A3 455/4885ALDH1A1 1086/4885SMN1; SMN2 1482/4885
US-20160222026-A1 Dibenzo[B,F][1,4]oxazepin-11-yl-N-Hydroxybenzamides as HDAC Inhibitors HDAC1, HDAC2, HDAC4 SLC6A3 4218/4885ALDH1A1 235/4885SMN1; SMN2 3594/4885
US-20110196147-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC5, HDAC11 SLC6A3 4462/4885ALDH1A1 540/4885SMN1; SMN2 4142/4885

“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.

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