SCHEMBL1305885

SCHEMBL1305885

O=C(O)CCCCC=C(COc1cccc2ccccc12)C(=O)NCCC1=CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.49
▸ HPGD P15428 4/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ LMNA P02545 2/20 0.48
▸ TDP1 Q9NUW8 2/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ EPHX1 P07099 1/20 0.43

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
SCHEMBL1305819 0.93 TDP1 (0.50) ALDH1A1HPGDKDM4ERAB9ALMNA
SCHEMBL28392351 0.93 TDP1 (0.50) ALDH1A1HPGDKDM4ERAB9ALMNA
SCHEMBL1306816 0.88 LMNA (0.47) ALDH1A1HPGDKDM4ERAB9ALMNA
SCHEMBL1307956 0.84 KDM4E (0.46) ALDH1A1HPGDKDM4ERAB9ALMNA
SCHEMBL1307535 0.84 ALDH1A1 (0.46) ALDH1A1HPGDKDM4ELMNATDP1
SCHEMBL1307532 0.84 ALDH1A1 (0.46) ALDH1A1HPGDKDM4ELMNATDP1
SCHEMBL1307959 0.84 KDM4E (0.46) ALDH1A1HPGDKDM4ERAB9ALMNA
SCHEMBL1306586 0.84 P2RX3 (0.46) ALDH1A1HPGDKDM4ERAB9ALMNA
SCHEMBL1307035 0.82 PTPN1 (0.48) ALDH1A1HPGDKDM4ELMNATDP1
SCHEMBL1307037 0.82 PTPN1 (0.48) ALDH1A1HPGDKDM4ELMNATDP1

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 673/4885HPGD 413/4885KDM4E 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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