SCHEMBL1305717

SCHEMBL1305717

CC(C)(C)C1(N(C/C(=C/c2ccc(C(=O)NOC3CCCCO3)cc2)COc2cccc3ccccc23)C(=O)O)CCCCC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 2/20 0.69
▸ TGFBR1 P36897 1/20 0.34
▸ ALDH1A1 P00352 4/20 0.34
▸ DAPK1 P53355 1/20 0.34
▸ PIM3 Q86V86 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ ADAMTS4 O75173 1/20 0.33
▸ ADAMTS5 Q9UNA0 1/20 0.33
▸ GAA P10253 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ OGG1 O15527 1/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ HPGD P15428 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ GSTP1 P09211 1/20 0.31
▸ GSTM2 P28161 1/20 0.31
▸ GCGR P47871 1/20 0.30
▸ PPARG P37231 2/20 0.30
▸ PPARA Q07869 2/20 0.30

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
SCHEMBL1305722 1.00 P2RX3 (0.69) P2RX3TGFBR1ALDH1A1DAPK1PIM3
SCHEMBL1305720 0.83 P2RX3 (0.70) P2RX3TGFBR1ALDH1A1DAPK1PIM3
SCHEMBL1307318 0.83 P2RX3 (0.66) P2RX3TGFBR1ALDH1A1DAPK1PIM3
SCHEMBL1307193 0.82 P2RX3 (0.67) P2RX3TGFBR1ALDH1A1DAPK1PIM3
SCHEMBL1307194 0.82 P2RX3 (0.67) P2RX3TGFBR1ALDH1A1DAPK1PIM3
SCHEMBL1307321 0.82 P2RX3 (0.66) P2RX3TGFBR1ALDH1A1DAPK1PIM3
SCHEMBL1325255 0.81 P2RX3 (0.64) P2RX3TGFBR1ALDH1A1DAPK1PIM3
SCHEMBL1307036 0.80 P2RX3 (0.64) P2RX3TGFBR1ALDH1A1DAPK1PIM3
SCHEMBL1307191 0.80 P2RX3 (0.66) P2RX3TGFBR1ALDH1A1DAPK1PIM3
SCHEMBL3817692 0.80 P2RX3 (0.67) P2RX3TGFBR1ALDH1A1DAPK1PIM3

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 4630/4885TGFBR1 1626/4885ALDH1A1 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.

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