SCHEMBL1306015

SCHEMBL1306015

COCC(C)NCC(=Cc1ccc(C(=O)O)cc1)COc1cccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.47
▸ TDP1 Q9NUW8 3/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ P2RX3 P56373 2/20 0.46
▸ HPGD P15428 1/20 0.46
▸ DAPK1 P53355 1/20 0.43
▸ PIM3 Q86V86 1/20 0.43
▸ MAPK1 P28482 3/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ BLM P54132 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ ADRB2 P07550 4/20 0.42
▸ ADRB1 P08588 4/20 0.42
▸ SIGMAR1 Q99720 4/20 0.42
▸ CYP1A2 P05177 3/20 0.42
▸ CYP2D6 P10635 3/20 0.42
▸ SLC6A4 P31645 3/20 0.42

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
SCHEMBL1306011 1.00 ALDH1A1 (0.47) ALDH1A1TDP1KDM4EP2RX3HPGD
SCHEMBL1306013 1.00 ALDH1A1 (0.47) ALDH1A1TDP1KDM4EP2RX3HPGD
SCHEMBL1306259 0.91 P2RX3 (0.55) ALDH1A1TDP1KDM4EP2RX3HPGD
SCHEMBL1306263 0.91 P2RX3 (0.55) ALDH1A1TDP1KDM4EP2RX3HPGD
SCHEMBL1306267 0.91 P2RX3 (0.55) ALDH1A1TDP1KDM4EP2RX3HPGD
SCHEMBL1306569 0.83 KMT2A (0.50) ALDH1A1TDP1KDM4EHPGDDAPK1
SCHEMBL1306564 0.83 KMT2A (0.50) ALDH1A1TDP1KDM4EHPGDDAPK1
SCHEMBL1307026 0.80 P2RX3 (0.45) ALDH1A1TDP1KDM4EP2RX3HPGD
SCHEMBL1307028 0.80 P2RX3 (0.45) ALDH1A1TDP1KDM4EP2RX3HPGD
SCHEMBL1305310 0.79 ALDH1A1 (0.48) ALDH1A1TDP1KDM4EHPGDMAPK1

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 5 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
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 673/4885TDP1 2037/4885KDM4E 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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