SCHEMBL1306569

SCHEMBL1306569

COCC(C)NC(=O)C(=Cc1ccc(C(=O)O)cc1)COc1cccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.50
▸ MEN1 O00255 4/20 0.50
▸ DAPK1 P53355 1/20 0.43
▸ PIM3 Q86V86 1/20 0.43
▸ KDM4E B2RXH2 4/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ HPGD P15428 4/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ POLB P06746 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ OGG1 O15527 1/20 0.40
▸ CASP3 P42574 2/20 0.40
▸ MRGPRX4 Q96LA9 1/20 0.40
▸ TSHR P16473 1/20 0.39
▸ CASP6 P55212 1/20 0.39
▸ CASP8 Q14790 1/20 0.39
▸ LMNA P02545 1/20 0.39

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
SCHEMBL1306564 1.00 KMT2A (0.50) KMT2AMEN1DAPK1PIM3KDM4E
SCHEMBL1306692 0.93 KMT2A (0.47) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL1305939 0.91 MEN1 (0.46) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL1305934 0.91 MEN1 (0.46) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL1306695 0.88 TRPM4 (0.42) KMT2AMEN1DAPK1PIM3KDM4E
SCHEMBL1307248 0.85 LMNA (0.52) KMT2AMEN1DAPK1PIM3KDM4E
SCHEMBL1307250 0.85 LMNA (0.52) KMT2AMEN1DAPK1PIM3KDM4E
SCHEMBL1306011 0.83 ALDH1A1 (0.47) KMT2AMEN1DAPK1PIM3KDM4E
SCHEMBL1306015 0.83 ALDH1A1 (0.47) KMT2AMEN1DAPK1PIM3KDM4E
SCHEMBL1306013 0.83 ALDH1A1 (0.47) KMT2AMEN1DAPK1PIM3KDM4E

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 3 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

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 KMT2A 111/4885MEN1 4379/4885DAPK1 3113/4885

“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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