SCHEMBL1306578

SCHEMBL1306578

CC(NC(=O)/C(=C/CCCCC(=O)NOC1CCCCO1)COc1cccc2ccccc12)C1C=CCCC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 1/20 0.46
▸ CASP3 P42574 5/20 0.34
▸ CASP1 P29466 4/20 0.34
▸ CASP7 P55210 4/20 0.34
▸ CASP8 Q14790 4/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ ADAMTS4 O75173 1/20 0.34
▸ ADAMTS5 Q9UNA0 1/20 0.34
▸ CASP6 P55212 3/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ PREP P48147 1/20 0.32
▸ OGG1 O15527 1/20 0.32
▸ DAPK1 P53355 1/20 0.32
▸ PIM3 Q86V86 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
SCHEMBL1306583 1.00 P2RX3 (0.46) P2RX3CASP3CASP1CASP7CASP8
SCHEMBL1305810 0.87 ALDH1A1 (0.37) CASP3CASP1CASP7CASP8ALDH1A1
SCHEMBL1305816 0.87 ALDH1A1 (0.37) CASP3CASP1CASP7CASP8ALDH1A1
SCHEMBL1306987 0.86 P2RX3 (0.47) P2RX3CASP3CASP1CASP7CASP8
SCHEMBL1306988 0.86 P2RX3 (0.47) P2RX3CASP3CASP1CASP7CASP8
SCHEMBL1306580 0.85 P2RX3 (0.47) P2RX3ALDH1A1ADAMTS4ADAMTS5MEN1
SCHEMBL1305884 0.85 ALDH1A1 (0.41) CASP3CASP1CASP7CASP8ALDH1A1
SCHEMBL1306814 0.85 CNR2 (0.38) CASP3CASP1CASP7CASP8ALDH1A1
SCHEMBL1307999 0.83 P2RX3 (0.62) P2RX3CASP3CASP1CASP7CASP8
SCHEMBL1307169 0.82 P2RX3 (0.55) P2RX3ALDH1A1ADAMTS4ADAMTS5MEN1

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 4630/4885CASP3 542/4885CASP1 2439/4885

“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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