SCHEMBL1307035

SCHEMBL1307035

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 2/20 0.48
▸ PLAAT3 P53816 3/20 0.48
▸ PLAAT5 Q96KN8 3/20 0.48
▸ PLAAT2 Q9NWW9 3/20 0.48
▸ PLAAT4 Q9UL19 3/20 0.48
▸ HPGD P15428 2/20 0.46
▸ MCL1 Q07820 1/20 0.46
▸ POLB P06746 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ LMNA P02545 1/20 0.43
▸ ALOX12 P18054 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ CNR1 P21554 1/20 0.43
▸ MTNR1A P48039 1/20 0.42
▸ MTNR1B P49286 1/20 0.42
▸ LTB4R Q15722 1/20 0.42
▸ LTB4R2 Q9NPC1 1/20 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
SCHEMBL1307037 1.00 PTPN1 (0.48) PTPN1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL1306109 0.93 HPGD (0.48) PTPN1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL1306108 0.93 HPGD (0.48) PTPN1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL1306696 0.92 ALDH1A1 (0.46) PTPN1HPGDALDH1A1KDM4ETDP1
SCHEMBL1306700 0.92 ALDH1A1 (0.46) PTPN1HPGDALDH1A1KDM4ETDP1
SCHEMBL1306689 0.92 PTPN1 (0.48) PTPN1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL29488458 0.92 PTPN1 (0.48) PTPN1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL1306686 0.92 PTPN1 (0.48) PTPN1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL1307956 0.90 KDM4E (0.46) PLAAT3PLAAT5PLAAT2PLAAT4HPGD
SCHEMBL1307535 0.90 ALDH1A1 (0.46) PLAAT3PLAAT5PLAAT2PLAAT4HPGD

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 PTPN1 2544/4885PLAAT3 342/4885PLAAT5 663/4885

“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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