SCHEMBL1306621

SCHEMBL1306621

O=C(O)CCCC/C=C(\COc1cccc2ccccc12)C(=O)NC1CCN(CC2CCCCC2)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 1/20 0.42
▸ ADAMTS4 O75173 1/20 0.40
▸ ADAMTS5 Q9UNA0 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CCR1 P32246 2/20 0.38
▸ KDM2B Q8NHM5 3/20 0.38
▸ PREP P48147 2/20 0.36
▸ CHRM2 P08172 5/20 0.36
▸ CHRM1 P11229 5/20 0.36
▸ CHRM3 P20309 5/20 0.36
▸ CHRM4 P08173 2/20 0.36
▸ CHRM5 P08912 2/20 0.36
▸ PLA2G2A P14555 1/20 0.36
▸ DRD4 P21917 2/20 0.36
▸ DRD2 P14416 1/20 0.36

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
SCHEMBL1306629 1.00 P2RX3 (0.42) P2RX3ADAMTS4ADAMTS5ALDH1A1KDM4E
SCHEMBL29488466 0.92 P2RX3 (0.42) P2RX3ADAMTS4ADAMTS5ALDH1A1MEN1
SCHEMBL1307000 0.92 P2RX3 (0.39) P2RX3ADAMTS4ADAMTS5ALDH1A1MEN1
SCHEMBL1306999 0.92 P2RX3 (0.39) P2RX3ADAMTS4ADAMTS5ALDH1A1MEN1
SCHEMBL1306288 0.92 P2RX3 (0.42) P2RX3ADAMTS4ADAMTS5ALDH1A1MEN1
SCHEMBL1306290 0.92 P2RX3 (0.42) P2RX3ADAMTS4ADAMTS5ALDH1A1MEN1
SCHEMBL1306804 0.89 P2RX3 (0.44) P2RX3ALDH1A1KDM4EHPGDTDP1
SCHEMBL1306806 0.89 P2RX3 (0.44) P2RX3ALDH1A1KDM4EHPGDTDP1
SCHEMBL1307002 0.89 MEN1 (0.40) P2RX3ADAMTS4ADAMTS5ALDH1A1MEN1
SCHEMBL1307324 0.88 P2RX3 (0.54) P2RX3ALDH1A1KDM4EHPGDTDP1

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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