SCHEMBL1306318

SCHEMBL1306318

O=C(O)CCCC/C=C(\COc1cccc2ccccc12)C(=O)NCCCN1CCCC1=O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ NPC1 O15118 3/20 0.45
▸ ATM Q13315 1/20 0.45
▸ HPGD P15428 2/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ CREBBP Q92793 1/20 0.44
▸ LMNA P02545 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ TSHR P16473 1/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ TDP1 Q9NUW8 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ KMT2A Q03164 1/20 0.41

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
SCHEMBL1306323 1.00 KDM4E (0.47) KDM4EALDH1A1HSD17B10L3MBTL1NPC1
SCHEMBL1305792 0.92 KDM4E (0.48) KDM4EALDH1A1HSD17B10L3MBTL1NPC1
SCHEMBL1305961 0.92 L3MBTL1 (0.48) KDM4EALDH1A1HSD17B10L3MBTL1NPC1
SCHEMBL1305962 0.92 L3MBTL1 (0.48) KDM4EALDH1A1HSD17B10L3MBTL1NPC1
SCHEMBL1305790 0.92 KDM4E (0.48) KDM4EALDH1A1HSD17B10L3MBTL1NPC1
SCHEMBL29525119 0.92 KDM4E (0.48) KDM4EALDH1A1HSD17B10L3MBTL1NPC1
SCHEMBL1305963 0.88 KDM4E (0.45) KDM4EALDH1A1HSD17B10L3MBTL1NPC1
SCHEMBL1307074 0.86 KDM4E (0.44) KDM4EALDH1A1HSD17B10L3MBTL1HPGD
SCHEMBL1307076 0.86 KDM4E (0.44) KDM4EALDH1A1HSD17B10L3MBTL1HPGD
SCHEMBL17043090 0.84 P2RX3 (0.44) KDM4EALDH1A1HSD17B10L3MBTL1NPC1

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 KDM4E 125/4885ALDH1A1 673/4885HSD17B10 315/4885

“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.

Send feedback