SCHEMBL1306516

SCHEMBL1306516

CCOCCCNC(=O)C(=Cc1ccc(C(=O)NOC2CCCCO2)cc1)COc1cccc2ccccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 2/20 0.63
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ ADAMTS4 O75173 1/20 0.39
▸ ADAMTS5 Q9UNA0 1/20 0.39
▸ ALDH1A1 P00352 5/20 0.37
▸ MAPT P10636 3/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ TGFBR1 P36897 1/20 0.36
▸ HPGD P15428 3/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ HTR1B P28222 1/20 0.34
▸ NR2E1 Q9Y466 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ DAPK1 P53355 1/20 0.34
▸ PIM3 Q86V86 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34

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
SCHEMBL1306515 1.00 P2RX3 (0.63) P2RX3MEN1KMT2AADAMTS4ADAMTS5
SCHEMBL1307199 0.92 P2RX3 (0.66) P2RX3MEN1KMT2AADAMTS4ADAMTS5
SCHEMBL1307203 0.92 P2RX3 (0.66) P2RX3MEN1KMT2AADAMTS4ADAMTS5
SCHEMBL17043078 0.89 P2RX3 (0.62) P2RX3ADAMTS4ADAMTS5MAPTKDM4E
SCHEMBL17043074 0.89 P2RX3 (0.62) P2RX3ADAMTS4ADAMTS5MAPTKDM4E
SCHEMBL1306250 0.87 P2RX3 (0.60) P2RX3ADAMTS4ADAMTS5ALDH1A1MAPT
SCHEMBL1306254 0.87 P2RX3 (0.60) P2RX3ADAMTS4ADAMTS5ALDH1A1MAPT
SCHEMBL1308691 0.86 P2RX3 (0.63) P2RX3MEN1KMT2AADAMTS4ADAMTS5
SCHEMBL1308688 0.86 P2RX3 (0.63) P2RX3MEN1KMT2AADAMTS4ADAMTS5
SCHEMBL1306334 0.86 P2RX3 (0.60) P2RX3ADAMTS4ADAMTS5TGFBR1

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 4630/4885MEN1 4379/4885KMT2A 111/4885

“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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