SCHEMBL1307169

SCHEMBL1307169

O=C(CCCCC=C(COc1cccc2ccccc12)C(=O)NC1CCCCC1)NOC1CCCCO1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 1/20 0.55
▸ ADAMTS4 O75173 1/20 0.40
▸ ADAMTS5 Q9UNA0 1/20 0.40
▸ KMT2A Q03164 4/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ ALDH1A1 P00352 6/20 0.39
▸ OGG1 O15527 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ HPGD P15428 3/20 0.36
▸ PREP P48147 1/20 0.36
▸ DAPK1 P53355 1/20 0.36
▸ PIM3 Q86V86 1/20 0.36
▸ HTT P42858 2/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ BRD4 O60885 1/20 0.36
▸ EPHX1 P07099 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35

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
SCHEMBL1307168 1.00 P2RX3 (0.55) P2RX3ADAMTS4ADAMTS5KMT2AMEN1
SCHEMBL1306464 0.93 P2RX3 (0.48) P2RX3ADAMTS4ADAMTS5KMT2AMEN1
SCHEMBL1307287 0.93 P2RX3 (0.48) P2RX3ADAMTS4ADAMTS5KMT2AMEN1
SCHEMBL1307282 0.93 P2RX3 (0.48) P2RX3ADAMTS4ADAMTS5KMT2AMEN1
SCHEMBL1306458 0.93 P2RX3 (0.48) P2RX3ADAMTS4ADAMTS5KMT2AMEN1
SCHEMBL1306725 0.92 P2RX3 (0.47) P2RX3ADAMTS4ADAMTS5ALDH1A1OGG1
SCHEMBL1306730 0.92 P2RX3 (0.47) P2RX3ADAMTS4ADAMTS5ALDH1A1OGG1
SCHEMBL1306395 0.91 P2RX3 (0.47) P2RX3ADAMTS4ADAMTS5KMT2AMEN1
SCHEMBL1306391 0.91 P2RX3 (0.47) P2RX3ADAMTS4ADAMTS5KMT2AMEN1
SCHEMBL17043181 0.91 P2RX3 (0.48) P2RX3ADAMTS4ADAMTS5KMT2AMEN1

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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