SCHEMBL1306696

SCHEMBL1306696

COc1ccc(CNC(=O)/C(=C/CCCCC(=O)O)COc2cccc3ccccc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ HPGD P15428 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ CACNA1B Q00975 1/20 0.45
▸ APBA1 Q02410 1/20 0.45
▸ ADAMTS5 Q9UNA0 1/20 0.43
▸ CNR1 P21554 1/20 0.42
▸ LCK P06239 2/20 0.42
▸ LTB4R Q15722 1/20 0.42
▸ LTB4R2 Q9NPC1 1/20 0.42
▸ PTPN1 P18031 1/20 0.41
▸ LMNA P02545 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ CARM1 Q86X55 1/20 0.41
▸ PRMT6 Q96LA8 1/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ MAPT P10636 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
SCHEMBL1306700 1.00 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDTDP1MEN1
SCHEMBL1307179 0.93 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDTDP1MEN1
SCHEMBL1307180 0.93 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDTDP1MEN1
SCHEMBL1307035 0.92 PTPN1 (0.48) ALDH1A1KDM4EHPGDTDP1MEN1
SCHEMBL1307037 0.92 PTPN1 (0.48) ALDH1A1KDM4EHPGDTDP1MEN1
SCHEMBL1305400 0.91 CACNA1B (0.46) ALDH1A1KDM4EHPGDTDP1MEN1
SCHEMBL29488457 0.91 CACNA1B (0.46) ALDH1A1KDM4EHPGDTDP1MEN1
SCHEMBL1305933 0.91 CACNA1B (0.46) ALDH1A1KDM4EHPGDTDP1MEN1
SCHEMBL2906423 0.89 KDM4E (0.44) ALDH1A1KDM4EHPGDTDP1ADAMTS5
SCHEMBL2906430 0.89 KDM4E (0.44) ALDH1A1KDM4EHPGDTDP1ADAMTS5

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 673/4885KDM4E 125/4885HPGD 413/4885

“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