SCHEMBL1306690

SCHEMBL1306690

O=C(CCCCC=C(COc1cccc2ccccc12)C(=O)NCc1ccco1)NOC1CCCCO1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 1/20 0.47
▸ HPGD P15428 6/20 0.41
▸ LMNA P02545 3/20 0.41
▸ GAA P10253 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ ALDH1A1 P00352 8/20 0.38
▸ ADAMTS4 O75173 1/20 0.37
▸ ADAMTS5 Q9UNA0 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ KDM4E B2RXH2 3/20 0.36
▸ POLB P06746 3/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ USP2 O75604 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
SCHEMBL1306688 1.00 P2RX3 (0.47) P2RX3HPGDLMNAGAAMAPK1
SCHEMBL3833477 0.87 P2RX3 (0.47) P2RX3HPGDGAAALDH1A1ADAMTS4
SCHEMBL1306257 0.87 P2RX3 (0.46) P2RX3ALDH1A1ADAMTS4ADAMTS5KDM4E
SCHEMBL1306255 0.87 P2RX3 (0.46) P2RX3ALDH1A1ADAMTS4ADAMTS5KDM4E
SCHEMBL17043096 0.86 P2RX3 (0.48) P2RX3HPGDLMNAALDH1A1ADAMTS4
SCHEMBL17043093 0.86 P2RX3 (0.48) P2RX3HPGDLMNAALDH1A1ADAMTS4
SCHEMBL1306633 0.86 P2RX3 (0.49) P2RX3HPGDMAPK1ALDH1A1ADAMTS4
SCHEMBL1306630 0.86 P2RX3 (0.49) P2RX3HPGDMAPK1ALDH1A1ADAMTS4
SCHEMBL3834731 0.85 P2RX3 (0.45) P2RX3ALDH1A1ADAMTS4ADAMTS5MAPT
SCHEMBL1307169 0.85 P2RX3 (0.55) P2RX3HPGDLMNAALDH1A1ADAMTS4

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 4630/4885HPGD 413/4885LMNA 1637/4885

“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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