SCHEMBL1305647

SCHEMBL1305647

CC(C)C(/C(=C/c1ccc(C(=O)NOC2CCCCO2)cc1)COc1cccc2ccccc12)N(C(=O)OC(C)(C)C)C1CCNCC1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 2/20 0.58
▸ TGFBR1 P36897 1/20 0.33
▸ DAPK1 P53355 1/20 0.33
▸ PIM3 Q86V86 1/20 0.33
▸ REN P00797 3/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ CASP1 P29466 1/20 0.32
▸ CASP3 P42574 1/20 0.32
▸ CASP7 P55210 1/20 0.32
▸ CASP8 Q14790 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ GAA P10253 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ ADAMTS4 O75173 1/20 0.30
▸ ADAMTS5 Q9UNA0 1/20 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
SCHEMBL3852223 0.91 P2RX3 (0.55) P2RX3TGFBR1DAPK1PIM3REN
SCHEMBL3822470 0.82 P2RX3 (0.63) P2RX3TGFBR1DAPK1PIM3REN
SCHEMBL1305720 0.81 P2RX3 (0.70) P2RX3TGFBR1DAPK1PIM3ALDH1A1
SCHEMBL3820917 0.81 P2RX3 (0.62) P2RX3TGFBR1DAPK1PIM3REN
SCHEMBL3817692 0.81 P2RX3 (0.67) P2RX3TGFBR1DAPK1PIM3REN
SCHEMBL1307191 0.78 P2RX3 (0.66) P2RX3TGFBR1DAPK1PIM3ALDH1A1
SCHEMBL3846221 0.78 P2RX3 (0.66) P2RX3TGFBR1DAPK1PIM3REN
SCHEMBL1307315 0.77 P2RX3 (0.66) P2RX3TGFBR1DAPK1PIM3ALDH1A1
SCHEMBL1307305 0.76 P2RX3 (0.62) P2RX3TGFBR1DAPK1PIM3ALDH1A1
SCHEMBL3820913 0.76 P2RX3 (0.66) P2RX3TGFBR1DAPK1PIM3REN

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 1626/4885DAPK1 3113/4885

“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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