SCHEMBL1308967

SCHEMBL1308967

COc1ccc(CCN(CC(COc2cccc3ccccc23)=C(c2ccc(C(=O)NOC3CCCCO3)cc2)C(C)(C)C)C(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 1/20 0.51
▸ ALDH1A1 P00352 4/20 0.34
▸ GAA P10253 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ DAPK1 P53355 1/20 0.34
▸ PIM3 Q86V86 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ LPAR1 Q92633 1/20 0.33
▸ LPAR5 Q9H1C0 1/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ HDAC1 Q13547 2/20 0.32
▸ HDAC6 Q9UBN7 2/20 0.32
▸ PDE4A P27815 1/20 0.32
▸ PDE4B Q07343 1/20 0.32
▸ PDE4C Q08493 1/20 0.32
▸ PDE4D Q08499 1/20 0.32
▸ PTPN1 P18031 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ NPC1 O15118 1/20 0.32

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
SCHEMBL1307306 0.84 P2RX3 (0.53) P2RX3ALDH1A1DAPK1PIM3MEN1
SCHEMBL1307363 0.76 P2RX3 (0.60) P2RX3ALDH1A1GAAMAPTPTPN1
SCHEMBL1307360 0.76 P2RX3 (0.60) P2RX3ALDH1A1GAAMAPTPTPN1
SCHEMBL1306386 0.75 P2RX3 (0.63) P2RX3ALDH1A1GAAMAPTLMNA
SCHEMBL1306388 0.75 P2RX3 (0.63) P2RX3ALDH1A1GAAMAPTLMNA
SCHEMBL1307193 0.73 P2RX3 (0.67) P2RX3ALDH1A1GAAMAPTDAPK1
SCHEMBL1307318 0.71 P2RX3 (0.66) P2RX3ALDH1A1GAAMAPTDAPK1
SCHEMBL1307191 0.71 P2RX3 (0.66) P2RX3ALDH1A1GAAMAPTDAPK1
SCHEMBL1307194 0.70 P2RX3 (0.67) P2RX3ALDH1A1GAAMAPTDAPK1
SCHEMBL1307036 0.70 P2RX3 (0.64) P2RX3ALDH1A1GAAMAPTDAPK1

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 4630/4885ALDH1A1 673/4885GAA 688/4885

“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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