SCHEMBL1308075

SCHEMBL1308075

O=C(CCCC/C=C(\COc1cccc2ccccc12)C(=O)NC1CCN(C(=O)C2CCCCC2)C1)NOC1CCCCO1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 2/20 0.47
▸ PREP P48147 2/20 0.36
▸ ADAMTS4 O75173 1/20 0.35
▸ ADAMTS5 Q9UNA0 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.33
▸ OGG1 O15527 1/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ CNR1 P21554 2/20 0.32
▸ DAPK1 P53355 1/20 0.32
▸ PIM3 Q86V86 1/20 0.32
▸ SLC6A1 P30531 1/20 0.31
▸ BCL2 P10415 2/20 0.31
▸ MCL1 Q07820 1/20 0.31
▸ BCL2L1 Q07817 1/20 0.31
▸ BAD Q92934 1/20 0.31

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
SCHEMBL1308079 1.00 P2RX3 (0.47) P2RX3PREPADAMTS4ADAMTS5ALDH1A1
SCHEMBL2893536 0.93 P2RX3 (0.47) P2RX3PREPADAMTS4ADAMTS5ALDH1A1
SCHEMBL2893541 0.93 P2RX3 (0.47) P2RX3PREPADAMTS4ADAMTS5ALDH1A1
SCHEMBL17043184 0.90 P2RX3 (0.48) P2RX3PREPADAMTS4ADAMTS5ALDH1A1
SCHEMBL17043181 0.90 P2RX3 (0.48) P2RX3PREPADAMTS4ADAMTS5ALDH1A1
SCHEMBL1307168 0.89 P2RX3 (0.55) P2RX3PREPADAMTS4ADAMTS5ALDH1A1
SCHEMBL1307169 0.89 P2RX3 (0.55) P2RX3PREPADAMTS4ADAMTS5ALDH1A1
SCHEMBL1306976 0.88 P2RX3 (0.47) P2RX3PREPADAMTS4ADAMTS5ALDH1A1
SCHEMBL1306981 0.88 P2RX3 (0.47) P2RX3PREPADAMTS4ADAMTS5ALDH1A1
SCHEMBL1306086 0.88 P2RX3 (0.46) P2RX3PREPADAMTS4ADAMTS5ALDH1A1

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 4630/4885PREP 1557/4885ADAMTS4 2558/4885

“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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