SCHEMBL1306580

SCHEMBL1306580

O=C(CCCC/C=C(\COc1cccc2ccccc12)C(=O)NCCC1C=CCCC1)NOC1CCCCO1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 1/20 0.47
▸ ADAMTS4 O75173 1/20 0.39
▸ ADAMTS5 Q9UNA0 1/20 0.39
▸ PREP P48147 2/20 0.36
▸ ALDH1A1 P00352 3/20 0.34
▸ OGG1 O15527 1/20 0.33
▸ DAPK1 P53355 1/20 0.33
▸ PIM3 Q86V86 1/20 0.33
▸ MEN1 O00255 3/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ KDM4E B2RXH2 2/20 0.31
▸ HPGD P15428 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ CCNA2 P20248 1/20 0.31
▸ CDK2 P24941 1/20 0.31
▸ CCNA1 P78396 1/20 0.31
▸ CDK5 Q00535 1/20 0.31
▸ CDK5R1 Q15078 1/20 0.31
▸ EPHX2 P34913 1/20 0.31
▸ MAPT P10636 1/20 0.30

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
SCHEMBL1306630 0.87 P2RX3 (0.49) P2RX3ADAMTS4ADAMTS5PREPALDH1A1
SCHEMBL1306633 0.87 P2RX3 (0.49) P2RX3ADAMTS4ADAMTS5PREPALDH1A1
SCHEMBL1305813 0.86 ADAMTS4 (0.41) ADAMTS4ADAMTS5PREPALDH1A1OGG1
SCHEMBL1306583 0.85 P2RX3 (0.46) P2RX3ADAMTS4ADAMTS5PREPALDH1A1
SCHEMBL1306578 0.85 P2RX3 (0.46) P2RX3ADAMTS4ADAMTS5PREPALDH1A1
SCHEMBL1305517 0.85 P2RX3 (0.46) P2RX3ADAMTS4ADAMTS5PREPALDH1A1
SCHEMBL1305886 0.85 P2RX3 (0.46) P2RX3ADAMTS4ADAMTS5PREPALDH1A1
SCHEMBL1305889 0.85 P2RX3 (0.46) P2RX3ADAMTS4ADAMTS5PREPALDH1A1
SCHEMBL1305514 0.85 P2RX3 (0.46) P2RX3ADAMTS4ADAMTS5PREPALDH1A1
SCHEMBL17043096 0.85 P2RX3 (0.48) P2RX3ADAMTS4ADAMTS5ALDH1A1KDM4E

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 4630/4885ADAMTS4 2558/4885ADAMTS5 2842/4885

“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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