SCHEMBL1306322

SCHEMBL1306322

CC1CCCCN1CCCNCC(=CCCCCC(=O)NOC1CCCCO1)COc1cccc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 1/20 0.49
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ SLC2A1 P11166 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ PREP P48147 1/20 0.35
▸ ADAMTS4 O75173 1/20 0.35
▸ ADAMTS5 Q9UNA0 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ CXCR4 P61073 6/20 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
SCHEMBL1306320 1.00 P2RX3 (0.49) P2RX3MEN1KMT2ASLC2A1GAA
SCHEMBL1306316 1.00 P2RX3 (0.49) P2RX3MEN1KMT2ASLC2A1GAA
SCHEMBL1306355 0.88 SLC2A1 (0.40) P2RX3MEN1KMT2ASLC2A1GAA
SCHEMBL1306356 0.88 SLC2A1 (0.40) P2RX3MEN1KMT2ASLC2A1GAA
SCHEMBL1306358 0.88 SLC2A1 (0.40) P2RX3MEN1KMT2ASLC2A1GAA
SCHEMBL1308495 0.87 P2RX3 (0.47) P2RX3MEN1KMT2APREPADAMTS4
SCHEMBL1308499 0.87 P2RX3 (0.47) P2RX3MEN1KMT2APREPADAMTS4
SCHEMBL1306859 0.86 P2RX3 (0.49) P2RX3MEN1KMT2APREPADAMTS4
SCHEMBL1306862 0.86 P2RX3 (0.49) P2RX3MEN1KMT2APREPADAMTS4
SCHEMBL1306866 0.86 P2RX3 (0.49) P2RX3MEN1KMT2APREPADAMTS4

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 4630/4885MEN1 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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