SCHEMBL1306255

SCHEMBL1306255

COc1ccc(CNC(=O)/C(=C/CCCCC(=O)NOC2CCCCO2)COc2cccc3ccccc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 1/20 0.46
▸ CACNA1B Q00975 1/20 0.37
▸ APBA1 Q02410 1/20 0.37
▸ EPHX2 P34913 1/20 0.37
▸ ADAMTS5 Q9UNA0 2/20 0.37
▸ ADAMTS4 O75173 1/20 0.37
▸ CNR1 P21554 2/20 0.37
▸ ALDH1A1 P00352 5/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ PREP P48147 1/20 0.35
▸ DRD4 P21917 1/20 0.35
▸ CNR2 P34972 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
SCHEMBL1306257 1.00 P2RX3 (0.46) P2RX3CACNA1BAPBA1EPHX2ADAMTS5
SCHEMBL1305915 0.94 P2RX3 (0.45) P2RX3ADAMTS5ADAMTS4CNR1ALDH1A1
SCHEMBL1305917 0.94 P2RX3 (0.45) P2RX3ADAMTS5ADAMTS4CNR1ALDH1A1
SCHEMBL3834731 0.92 P2RX3 (0.45) P2RX3EPHX2ADAMTS5ADAMTS4ALDH1A1
SCHEMBL1306630 0.88 P2RX3 (0.49) P2RX3ADAMTS5ADAMTS4ALDH1A1KMT2A
SCHEMBL1306633 0.88 P2RX3 (0.49) P2RX3ADAMTS5ADAMTS4ALDH1A1KMT2A
SCHEMBL1306690 0.87 P2RX3 (0.47) P2RX3ADAMTS5ADAMTS4ALDH1A1KMT2A
SCHEMBL1306688 0.87 P2RX3 (0.47) P2RX3ADAMTS5ADAMTS4ALDH1A1KMT2A
SCHEMBL3833477 0.87 P2RX3 (0.47) P2RX3ADAMTS5ADAMTS4ALDH1A1KMT2A
SCHEMBL1305514 0.86 P2RX3 (0.46) P2RX3EPHX2ADAMTS5ADAMTS4ALDH1A1

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 4630/4885CACNA1B 4012/4885APBA1 3611/4885

“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