SCHEMBL1306865

SCHEMBL1306865

O=C(O)CCCC/C=C(\CNCCCn1ccnc1)COc1cccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ ALDH1A1 P00352 3/20 0.46
▸ PKM P14618 1/20 0.46
▸ TBXAS1 P24557 7/20 0.43
▸ HPGD P15428 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ QPCT Q16769 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ USP2 O75604 1/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ CYP19A1 P11511 1/20 0.40

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
SCHEMBL1306863 1.00 KDM4E (0.47) KDM4EL3MBTL1ALDH1A1PKMTBXAS1
SCHEMBL1306867 1.00 KDM4E (0.47) KDM4EL3MBTL1ALDH1A1PKMTBXAS1
SCHEMBL1306640 0.92 L3MBTL1 (0.47) KDM4EL3MBTL1ALDH1A1PKMQPCT
SCHEMBL1306180 0.92 L3MBTL1 (0.49) KDM4EL3MBTL1ALDH1A1PKMQPCT
SCHEMBL1306643 0.92 L3MBTL1 (0.47) KDM4EL3MBTL1ALDH1A1PKMQPCT
SCHEMBL1306178 0.92 L3MBTL1 (0.49) KDM4EL3MBTL1ALDH1A1PKMQPCT
SCHEMBL1306647 0.92 L3MBTL1 (0.47) KDM4EL3MBTL1ALDH1A1PKMQPCT
SCHEMBL1306183 0.88 ALDH1A1 (0.45) KDM4EL3MBTL1ALDH1A1PKMTBXAS1
SCHEMBL1306376 0.86 KDM4E (0.50) KDM4EL3MBTL1ALDH1A1PKMTBXAS1
SCHEMBL1306379 0.86 KDM4E (0.50) KDM4EL3MBTL1ALDH1A1PKMTBXAS1

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 KDM4E 125/4885L3MBTL1 3080/4885ALDH1A1 673/4885

“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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