SCHEMBL1305950

SCHEMBL1305950

O=C(NCCCn1ccnc1)/C(=C/c1ccc(C(=O)O)cc1)COc1cccc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.50
▸ LMNA P02545 2/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.49
▸ PKM P14618 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ QPCT Q16769 1/20 0.46
▸ BRD4 O60885 1/20 0.46
▸ TBXAS1 P24557 1/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ MAPT P10636 1/20 0.43

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
SCHEMBL1305956 1.00 L3MBTL1 (0.50) L3MBTL1LMNAKDM4EALDH1A1PKM
SCHEMBL1306230 0.92 L3MBTL1 (0.51) L3MBTL1LMNAKDM4EALDH1A1PKM
SCHEMBL1307053 0.92 L3MBTL1 (0.52) L3MBTL1LMNAKDM4EALDH1A1PKM
SCHEMBL1306227 0.92 L3MBTL1 (0.51) L3MBTL1LMNAKDM4EALDH1A1PKM
SCHEMBL1307055 0.89 ALDH1A1 (0.47) L3MBTL1LMNAKDM4EALDH1A1PKM
SCHEMBL1307064 0.85 L3MBTL1 (0.46) L3MBTL1LMNAKDM4EALDH1A1PKM
SCHEMBL1307062 0.85 L3MBTL1 (0.46) L3MBTL1LMNAKDM4EALDH1A1PKM
SCHEMBL2891106 0.83 TDP1 (0.47) KDM4ESMN1; SMN2KMT2AMEN1POLB
SCHEMBL2891102 0.83 TDP1 (0.47) KDM4ESMN1; SMN2KMT2AMEN1POLB
SCHEMBL1306401 0.83 P2RX3 (0.58) L3MBTL1LMNAKDM4EALDH1A1PKM

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 L3MBTL1 3080/4885LMNA 1637/4885KDM4E 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.

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