SCHEMBL1308523

SCHEMBL1308523

COCCNC(=O)/C(=C/CCCCC(=O)O)COc1cccc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 4/20 0.49
▸ ALDH1A1 P00352 4/20 0.49
▸ KDM4E B2RXH2 3/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ TERT O14746 1/20 0.43
▸ CNR2 P34972 2/20 0.42
▸ KMT2A Q03164 3/20 0.41
▸ OGG1 O15527 1/20 0.41
▸ TSHR P16473 2/20 0.40
▸ SLC6A4 P31645 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HRH1 P35367 1/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ MCL1 Q07820 1/20 0.39
▸ TBXAS1 P24557 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ HTR1D P28221 1/20 0.38
▸ HTR1B P28222 1/20 0.38

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
SCHEMBL1308527 1.00 HPGD (0.49) HPGDALDH1A1KDM4ETDP1TERT
SCHEMBL1306558 0.92 CNR2 (0.47) HPGDALDH1A1KDM4ETDP1CNR2
SCHEMBL1306561 0.92 CNR2 (0.47) HPGDALDH1A1KDM4ETDP1CNR2
SCHEMBL1305811 0.91 HPGD (0.45) HPGDALDH1A1KDM4ETDP1OGG1
SCHEMBL1305817 0.91 HPGD (0.45) HPGDALDH1A1KDM4ETDP1OGG1
SCHEMBL29488485 0.91 HPGD (0.45) HPGDALDH1A1KDM4ETDP1OGG1
SCHEMBL1306562 0.86 HPGD (0.44) HPGDALDH1A1KDM4ETDP1KMT2A
SCHEMBL12116456 0.86 ALDH1A1 (0.55) HPGDALDH1A1KDM4ETDP1TERT
SCHEMBL1307035 0.86 PTPN1 (0.48) HPGDALDH1A1KDM4ETDP1KMT2A
SCHEMBL1307037 0.86 PTPN1 (0.48) HPGDALDH1A1KDM4ETDP1KMT2A

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 HPGD 413/4885ALDH1A1 673/4885KDM4E 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.

Send feedback