SCHEMBL1306709

SCHEMBL1306709

O=C(NCCC1=CCCCC1)C(=Cc1ccc(C(=O)O)cc1)COc1cccc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.49
▸ HPGD P15428 3/20 0.49
▸ RAB9A P51151 3/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ LMNA P02545 3/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ NPC1 O15118 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ EPHX1 P07099 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42

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
SCHEMBL1305163 0.92 TDP1 (0.49) ALDH1A1HPGDRAB9AKDM4ELMNA
SCHEMBL1306824 0.89 L3MBTL1 (0.50) ALDH1A1HPGDRAB9AKDM4ELMNA
SCHEMBL1307912 0.83 LMNA (0.51) ALDH1A1HPGDRAB9AKDM4ELMNA
SCHEMBL1307916 0.83 LMNA (0.51) ALDH1A1HPGDRAB9AKDM4ELMNA
SCHEMBL1308000 0.83 P2RX3 (0.62) ALDH1A1HPGDRAB9AKDM4ELMNA
SCHEMBL1305885 0.81 ALDH1A1 (0.49) ALDH1A1HPGDRAB9AKDM4ELMNA
SCHEMBL1306788 0.81 PTPN1 (0.48) ALDH1A1HPGDKDM4ELMNASMN1; SMN2
SCHEMBL1306787 0.81 PTPN1 (0.48) ALDH1A1HPGDKDM4ELMNASMN1; SMN2
SCHEMBL27784527 0.80 LMNA (0.48) ALDH1A1HPGDRAB9AKDM4ELMNA
SCHEMBL27784529 0.80 LMNA (0.48) ALDH1A1HPGDRAB9AKDM4ELMNA

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 673/4885HPGD 413/4885RAB9A 3470/4885

“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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