SCHEMBL1306859

SCHEMBL1306859

O=C(CCCC/C=C(/CNCCN1CCOCC1)COc1cccc2ccccc12)NOC1CCCCO1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 1/20 0.49
▸ HTT P42858 1/20 0.38
▸ ALB P02768 2/20 0.38
▸ MCL1 Q07820 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ PREP P48147 1/20 0.37
▸ ADAMTS4 O75173 1/20 0.37
▸ ADAMTS5 Q9UNA0 1/20 0.37
▸ CNR1 P21554 1/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ EPHX2 P34913 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL1306862 1.00 P2RX3 (0.49) P2RX3HTTALBMCL1L3MBTL1
SCHEMBL1306866 1.00 P2RX3 (0.49) P2RX3HTTALBMCL1L3MBTL1
SCHEMBL1307555 0.98 P2RX3 (0.47) P2RX3HTTALBMCL1L3MBTL1
SCHEMBL1307552 0.98 P2RX3 (0.47) P2RX3HTTALBMCL1L3MBTL1
SCHEMBL1308805 0.87 P2RX3 (0.54) P2RX3PREPADAMTS4ADAMTS5CNR2
SCHEMBL1308802 0.87 P2RX3 (0.54) P2RX3PREPADAMTS4ADAMTS5CNR2
SCHEMBL1308808 0.87 P2RX3 (0.54) P2RX3PREPADAMTS4ADAMTS5CNR2
SCHEMBL1306320 0.86 P2RX3 (0.49) P2RX3L3MBTL1PREPADAMTS4ADAMTS5
SCHEMBL1306322 0.86 P2RX3 (0.49) P2RX3L3MBTL1PREPADAMTS4ADAMTS5
SCHEMBL1306316 0.86 P2RX3 (0.49) P2RX3L3MBTL1PREPADAMTS4ADAMTS5

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 3 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

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 4630/4885HTT 1818/4885ALB 4701/4885

“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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