SCHEMBL2895817

SCHEMBL2895817

O=C(NCC1CCCO1)/C(=C/c1ccc(C(=O)O)cc1)COc1cccc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ KDM4E B2RXH2 7/20 0.49
▸ GAA P10253 2/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ P2RX3 P56373 1/20 0.47
▸ POLB P06746 2/20 0.46
▸ NPC1 O15118 2/20 0.44
▸ HPGD P15428 2/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44

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
SCHEMBL2895823 1.00 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2KDM4EGAAKMT2A
SCHEMBL1306224 0.92 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2KDM4EGAAKMT2A
SCHEMBL1306225 0.92 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2KDM4EGAAKMT2A
SCHEMBL1306170 0.89 ALDH1A1 (0.48) ALDH1A1KDM4EGAAPOLBNPC1
SCHEMBL1307933 0.80 P2RX3 (0.51) ALDH1A1SMN1; SMN2KDM4EKMT2AP2RX3
SCHEMBL1307936 0.80 P2RX3 (0.51) ALDH1A1SMN1; SMN2KDM4EKMT2AP2RX3
SCHEMBL2895820 0.79 P2RX3 (0.45) ALDH1A1SMN1; SMN2KDM4EKMT2AP2RX3
SCHEMBL3847829 0.77 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2KDM4EPOLBNPC1
SCHEMBL3847824 0.77 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2KDM4EPOLBNPC1
SCHEMBL1307250 0.77 LMNA (0.52) ALDH1A1SMN1; SMN2KDM4EGAAKMT2A

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 4 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-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
EP-2089354-A1 NAPHTHALENYLOXYPROPENYL DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST HISTONE DEACETYLASE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Korea Research Institute Of Chemical Technology (KR) 2009-08-19 — — EP disclosed
WO-2008054154-A1 NAPHTHALENYLOXYPROPENYL DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST HISTONE DEACETYLASE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-05-08 — — WO 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 ALDH1A1 673/4885SMN1; SMN2 3845/4885KDM4E 125/4885

“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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