SCHEMBL1305998

SCHEMBL1305998

O=C(CCCC/C=C(/CNCCCn1ccnc1)COc1cccc2ccccc12)NOC1CCCCO1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 1/20 0.47
▸ L3MBTL1 Q9Y468 4/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ PKM P14618 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ POLB P06746 1/20 0.36
▸ ADAMTS4 O75173 1/20 0.35
▸ ADAMTS5 Q9UNA0 1/20 0.35
▸ QPCT Q16769 1/20 0.34
▸ NAMPT P43490 1/20 0.34
▸ IDE P14735 1/20 0.34
▸ PREP P48147 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL1306005 1.00 P2RX3 (0.47) P2RX3L3MBTL1ALDH1A1PKMKDM4E
SCHEMBL1306002 1.00 P2RX3 (0.47) P2RX3L3MBTL1ALDH1A1PKMKDM4E
SCHEMBL1307152 0.89 P2RX3 (0.43) P2RX3L3MBTL1ALDH1A1PKMKDM4E
SCHEMBL1307155 0.89 P2RX3 (0.43) P2RX3L3MBTL1ALDH1A1PKMKDM4E
SCHEMBL1306320 0.85 P2RX3 (0.49) P2RX3L3MBTL1ALDH1A1ADAMTS4ADAMTS5
SCHEMBL1306322 0.85 P2RX3 (0.49) P2RX3L3MBTL1ALDH1A1ADAMTS4ADAMTS5
SCHEMBL1306316 0.85 P2RX3 (0.49) P2RX3L3MBTL1ALDH1A1ADAMTS4ADAMTS5
SCHEMBL1308499 0.85 P2RX3 (0.47) P2RX3L3MBTL1ALDH1A1KDM4EADAMTS4
SCHEMBL1308495 0.85 P2RX3 (0.47) P2RX3L3MBTL1ALDH1A1KDM4EADAMTS4
SCHEMBL17043083 0.85 P2RX3 (0.49) P2RX3ALDH1A1KDM4EADAMTS4ADAMTS5

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 P2RX3 4630/4885L3MBTL1 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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