SCHEMBL1308499

SCHEMBL1308499

O=C(CCCCC=C(CNCCCN1CCCC1=O)COc1cccc2ccccc12)NOC1CCCCO1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 1/20 0.47
▸ KDM4E B2RXH2 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ PREP P48147 1/20 0.35
▸ ADAMTS4 O75173 1/20 0.35
▸ ADAMTS5 Q9UNA0 1/20 0.35
▸ DAPK1 P53355 1/20 0.35
▸ PIM3 Q86V86 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ TSHR P16473 1/20 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
SCHEMBL1308495 1.00 P2RX3 (0.47) P2RX3KDM4EALDH1A1HSD17B10PREP
SCHEMBL17043091 0.89 P2RX3 (0.44) P2RX3KDM4EALDH1A1HSD17B10PREP
SCHEMBL17043090 0.89 P2RX3 (0.44) P2RX3KDM4EALDH1A1HSD17B10PREP
SCHEMBL1306316 0.87 P2RX3 (0.49) P2RX3ALDH1A1PREPADAMTS4ADAMTS5
SCHEMBL1306320 0.87 P2RX3 (0.49) P2RX3ALDH1A1PREPADAMTS4ADAMTS5
SCHEMBL1306322 0.87 P2RX3 (0.49) P2RX3ALDH1A1PREPADAMTS4ADAMTS5
SCHEMBL1306859 0.86 P2RX3 (0.49) P2RX3KDM4EALDH1A1PREPADAMTS4
SCHEMBL1306862 0.86 P2RX3 (0.49) P2RX3KDM4EALDH1A1PREPADAMTS4
SCHEMBL1306866 0.86 P2RX3 (0.49) P2RX3KDM4EALDH1A1PREPADAMTS4
SCHEMBL1307537 0.85 KDM4E (0.45) KDM4EALDH1A1HSD17B10SMN1; SMN2L3MBTL1

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 5 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
EP-2089354-A1 NAPHTHALENYLOXYPROPENYL DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST HISTONE DEACETYLASE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Korea Research Institute Of Chemical Technology (KR) 2009-08-19 — — EP disclosed
WO-2008054154-A1 NAPHTHALENYLOXYPROPENYL DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST HISTONE DEACETYLASE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-05-08 — — WO 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 4630/4885KDM4E 125/4885ALDH1A1 673/4885

“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.

Send feedback