SCHEMBL1305514

SCHEMBL1305514

O=C(CCCC/C=C(\COc1cccc2ccccc12)C(=O)NCCc1ccc(F)cc1)NOC1CCCCO1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 1/20 0.46
▸ ADAMTS4 O75173 1/20 0.38
▸ ADAMTS5 Q9UNA0 1/20 0.38
▸ POLB P06746 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ PREP P48147 1/20 0.35
▸ CA2 P00918 2/20 0.35
▸ EPHX2 P34913 1/20 0.34
▸ OGG1 O15527 1/20 0.34
▸ DAPK1 P53355 1/20 0.33
▸ PIM3 Q86V86 1/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ PLAAT3 P53816 1/20 0.33
▸ PLAAT5 Q96KN8 1/20 0.33
▸ PLAAT2 Q9NWW9 1/20 0.33
▸ PLAAT4 Q9UL19 1/20 0.33

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
SCHEMBL1305517 1.00 P2RX3 (0.46) P2RX3ADAMTS4ADAMTS5POLBLMNA
SCHEMBL1305886 0.94 P2RX3 (0.46) P2RX3ADAMTS4ADAMTS5ALDH1A1PREP
SCHEMBL1305889 0.94 P2RX3 (0.46) P2RX3ADAMTS4ADAMTS5ALDH1A1PREP
SCHEMBL1305917 0.93 P2RX3 (0.45) P2RX3ADAMTS4ADAMTS5POLBLMNA
SCHEMBL1305915 0.93 P2RX3 (0.45) P2RX3ADAMTS4ADAMTS5POLBLMNA
SCHEMBL1306586 0.89 P2RX3 (0.46) P2RX3POLBLMNAALDH1A1L3MBTL1
SCHEMBL1307177 0.88 P2RX3 (0.50) P2RX3ADAMTS4ADAMTS5POLBLMNA
SCHEMBL1307175 0.88 P2RX3 (0.50) P2RX3ADAMTS4ADAMTS5POLBLMNA
SCHEMBL1307170 0.88 P2RX3 (0.50) P2RX3ADAMTS4ADAMTS5POLBLMNA
SCHEMBL1306633 0.88 P2RX3 (0.49) P2RX3ADAMTS4ADAMTS5ALDH1A1PREP

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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