SCHEMBL1306193

SCHEMBL1306193

COC(=O)CCCCC=C(CNCC(C)(C)CN(C)C)COc1cccc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 2/20 0.41
▸ KDM4E B2RXH2 4/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ HPGD P15428 4/20 0.40
▸ CNR1 P21554 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ TSHR P16473 1/20 0.39
▸ OGG1 O15527 1/20 0.38
▸ HTR1B P28222 3/20 0.36
▸ BTN3A1 O00481 1/20 0.36
▸ CYP1A2 P05177 3/20 0.36
▸ CYP2C19 P33261 3/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ MAPT P10636 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL1306192 1.00 CNR2 (0.41) CNR2KDM4EALDH1A1HPGDCNR1
SCHEMBL1306182 0.92 KDM4E (0.46) CNR2KDM4EALDH1A1HPGDTDP1
SCHEMBL1306179 0.92 KDM4E (0.46) CNR2KDM4EALDH1A1HPGDTDP1
SCHEMBL1306175 0.92 KDM4E (0.46) CNR2KDM4EALDH1A1HPGDTDP1
SCHEMBL1306235 0.90 KDM4E (0.39) KDM4EALDH1A1HPGDTDP1TSHR
SCHEMBL1306229 0.90 KDM4E (0.39) KDM4EALDH1A1HPGDTDP1TSHR
SCHEMBL1306233 0.90 KDM4E (0.39) KDM4EALDH1A1HPGDTDP1TSHR
SCHEMBL1306195 0.85 KDM4E (0.40) KDM4EALDH1A1HPGDTDP1TSHR
SCHEMBL1307236 0.85 CNR2 (0.41) CNR2KDM4EALDH1A1HPGDCNR1
SCHEMBL1307234 0.85 CNR2 (0.41) CNR2KDM4EALDH1A1HPGDCNR1

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 CNR2 3122/4885KDM4E 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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