SCHEMBL1306998

SCHEMBL1306998

O=C(O)CCCC/C=C(\CNCCN1CCOCC1)COc1cccc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ KDM4E B2RXH2 3/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ HPGD P15428 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ MCL1 Q07820 3/20 0.44
▸ ALB P02768 2/20 0.44
▸ CNR1 P21554 1/20 0.43
▸ CNR2 P34972 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.42
▸ TSHR P16473 1/20 0.42
▸ HTT P42858 3/20 0.41
▸ TERT O14746 1/20 0.41
▸ MAPT P10636 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ DRD3 P35462 1/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.40

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
SCHEMBL1307001 1.00 L3MBTL1 (0.45) L3MBTL1KDM4EALDH1A1HPGDTDP1
SCHEMBL1306997 1.00 L3MBTL1 (0.45) L3MBTL1KDM4EALDH1A1HPGDTDP1
SCHEMBL1306213 0.92 TDP1 (0.47) KDM4EALDH1A1HPGDTDP1MCL1
SCHEMBL1306216 0.92 TDP1 (0.47) KDM4EALDH1A1HPGDTDP1MCL1
SCHEMBL1305711 0.92 L3MBTL1 (0.43) L3MBTL1ALDH1A1MCL1ALBCNR1
SCHEMBL1306282 0.92 L3MBTL1 (0.43) L3MBTL1KDM4EMCL1ALBCNR1
SCHEMBL1306284 0.92 L3MBTL1 (0.43) L3MBTL1KDM4EMCL1ALBCNR1
SCHEMBL1306278 0.92 L3MBTL1 (0.43) L3MBTL1KDM4EMCL1ALBCNR1
SCHEMBL1305715 0.92 L3MBTL1 (0.43) L3MBTL1ALDH1A1MCL1ALBCNR1
SCHEMBL1305721 0.88 MCL1 (0.45) L3MBTL1KDM4EALDH1A1HPGDTDP1

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 L3MBTL1 3080/4885KDM4E 125/4885ALDH1A1 673/4885

“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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