SCHEMBL1306214

SCHEMBL1306214

COCC(C)NC(=O)C(=Cc1ccc(C(=O)NOC2CCCCO2)cc1)COc1cccc2ccccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 2/20 0.63
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ TGFBR1 P36897 1/20 0.36
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ DAPK1 P53355 1/20 0.34
▸ PIM3 Q86V86 1/20 0.34
▸ GSTP1 P09211 1/20 0.34
▸ GSTM2 P28161 1/20 0.34
▸ CASP1 P29466 1/20 0.33
▸ CASP3 P42574 1/20 0.33
▸ CASP7 P55210 1/20 0.33
▸ CASP8 Q14790 1/20 0.33
▸ ADAMTS4 O75173 1/20 0.33
▸ ADAMTS5 Q9UNA0 1/20 0.33
▸ HTR1B P28222 2/20 0.33
▸ OGG1 O15527 1/20 0.33

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
SCHEMBL1306211 1.00 P2RX3 (0.63) P2RX3MEN1KMT2AALDH1A1KDM4E
SCHEMBL1307199 0.89 P2RX3 (0.66) P2RX3MEN1KMT2AALDH1A1KDM4E
SCHEMBL1307203 0.89 P2RX3 (0.66) P2RX3MEN1KMT2AALDH1A1KDM4E
SCHEMBL1307999 0.86 P2RX3 (0.62) P2RX3MEN1KMT2AALDH1A1KDM4E
SCHEMBL1306712 0.85 P2RX3 (0.75) P2RX3MEN1KMT2AALDH1A1TGFBR1
SCHEMBL1306706 0.85 P2RX3 (0.75) P2RX3MEN1KMT2AALDH1A1TGFBR1
SCHEMBL1306516 0.84 P2RX3 (0.63) P2RX3MEN1KMT2AALDH1A1KDM4E
SCHEMBL1306515 0.84 P2RX3 (0.63) P2RX3MEN1KMT2AALDH1A1KDM4E
SCHEMBL1307172 0.84 P2RX3 (0.63) P2RX3ALDH1A1KDM4ETGFBR1
SCHEMBL1307174 0.84 P2RX3 (0.63) P2RX3ALDH1A1KDM4ETGFBR1

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 4630/4885MEN1 4379/4885KMT2A 111/4885

“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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