SCHEMBL1306493

SCHEMBL1306493

CC(C)N(CCNC/C(=C/CCCCC(=O)O)COc1cccc2ccccc12)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 3/20 0.46
HPGD P15428 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
KMT2A Q03164 2/20 0.41
TSHR P16473 1/20 0.40
OGG1 O15527 1/20 0.39
CASP3 P42574 1/20 0.39
CNR2 P34972 1/20 0.38
HTR1B P28222 2/20 0.38
NR2E1 Q9Y466 1/20 0.38
MAPT P10636 1/20 0.38
TERT O14746 1/20 0.38
TBXAS1 P24557 1/20 0.38
CASP1 P29466 1/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TP53 P04637 1/20 0.36

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
SCHEMBL1306502 1.00 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDTDP1KMT2A
SCHEMBL1306497 1.00 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDTDP1KMT2A
SCHEMBL2892936 0.92 CNR2 (0.42) ALDH1A1KDM4EHPGDTDP1KMT2A
SCHEMBL2892938 0.92 CNR2 (0.42) ALDH1A1KDM4EHPGDTDP1KMT2A
SCHEMBL1325726 0.91 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDTDP1KMT2A
SCHEMBL1325728 0.91 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDTDP1KMT2A
SCHEMBL2892941 0.89 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDTDP1KMT2A
SCHEMBL1306617 0.87 KDM4E (0.48) ALDH1A1KDM4EHPGDTDP1KMT2A
SCHEMBL1306619 0.87 KDM4E (0.48) ALDH1A1KDM4EHPGDTDP1KMT2A
SCHEMBL1306616 0.87 KDM4E (0.48) ALDH1A1KDM4EHPGDTDP1KMT2A

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.