SCHEMBL1306853

SCHEMBL1306853

COC(=O)c1ccc(/C=C(/COc2cccc3ccccc23)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
KDM4E B2RXH2 6/20 0.43
HPGD P15428 5/20 0.43
TDP1 Q9NUW8 2/20 0.43
OGG1 O15527 1/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
MAPT P10636 7/20 0.42
TSHR P16473 1/20 0.41
P2RX3 P56373 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
GAA P10253 2/20 0.39
GLA P06280 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
DAPK1 P53355 1/20 0.39
PIM3 Q86V86 1/20 0.39

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
SCHEMBL12113456 1.00 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDTDP1OGG1
SCHEMBL1306854 1.00 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDTDP1OGG1
SCHEMBL1307039 0.86 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDTDP1OGG1
SCHEMBL12113377 0.86 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDTDP1OGG1
SCHEMBL1307038 0.86 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDTDP1OGG1
SCHEMBL5824269 0.86 CGAS (0.39) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL3834515 0.83 NPC1 (0.42) ALDH1A1KDM4EHPGDTDP1OGG1
SCHEMBL5822229 0.83 MAPT (0.51) ALDH1A1KDM4ETDP1KMT2AMEN1
SCHEMBL1306780 0.81 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDTDP1OGG1
SCHEMBL12113452 0.81 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDTDP1OGG1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2913322-A2 Naphthalenyloxypropenyl derivatives having inhibitory activity against histone deacetylase and pharmaceutical composition comprising the same Korea Research Institute Of Chemical Technology (KR) 2015-09-02 EP disclosed
US-8053435-B2 Naphthalenyloxypropenyl derivatives having inhibitory activity against histone deacetylase and pharmaceutical composition comprising the same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2011-11-08 US disclosed
US-20100069630-A1 NAPHTHALENYLOXYPROPENYL DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST HISTONE DEACETYLASE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-03-18 US disclosed
EP-2089354-A1 NAPHTHALENYLOXYPROPENYL DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST HISTONE DEACETYLASE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Korea Research Institute Of Chemical Technology (KR) 2009-08-19 EP disclosed
WO-2008054154-A1 NAPHTHALENYLOXYPROPENYL DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST HISTONE DEACETYLASE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-05-08 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-20100069630-A1 NAPHTHALENYLOXYPROPENYL DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST HISTONE DEACETYLASE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME HDAC1, HDAC3, HDAC11 ALDH1A1 673/4885KDM4E 125/4885HPGD 413/4885

“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.