SCHEMBL2159336

SCHEMBL2159336

CCOCCCCCCNC(=O)c1ccccc1N

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.64
HTT P42858 2/20 0.64
ALDH1A1 P00352 3/20 0.56
KDM4E B2RXH2 2/20 0.56
HCRTR1 O43613 1/20 0.55
HSD17B10 Q99714 2/20 0.54
TP53 P04637 1/20 0.54
MAPK1 P28482 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
TSHR P16473 2/20 0.53
HDAC3 O15379 5/20 0.53
HDAC1 Q13547 5/20 0.53
NAAA Q02083 1/20 0.51
POLB P06746 1/20 0.50

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
SCHEMBL31267470 0.85 ALDH1A1 (0.62) HPGDHTTALDH1A1KDM4EHSD17B10
SCHEMBL3688021 0.85 ALDH1A1 (0.62) HPGDHTTALDH1A1KDM4EHSD17B10
SCHEMBL28472071 0.84 NAAA (0.70) HPGDHTTALDH1A1KDM4EHCRTR1
SCHEMBL2159413 0.84 NAAA (0.70) HPGDHTTALDH1A1KDM4EHCRTR1
SCHEMBL6065093 0.84 NAAA (0.70) HPGDHTTALDH1A1KDM4EHCRTR1
SCHEMBL5674958 0.84 NAAA (0.70) HPGDHTTALDH1A1KDM4EHCRTR1
SCHEMBL5674983 0.84 NAAA (0.70) HPGDHTTALDH1A1KDM4EHCRTR1
SCHEMBL5678437 0.84 NAAA (0.70) HPGDHTTALDH1A1KDM4EHCRTR1
SCHEMBL5679165 0.84 NAAA (0.70) HPGDHTTALDH1A1KDM4EHCRTR1
SCHEMBL5674974 0.84 NAAA (0.70) HPGDHTTALDH1A1KDM4EHCRTR1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9089515-B2 Long chain N-alkyl compounds and oxa-derivatives thereof THOMAS JEFFERSON UNIVERSITY (US) 2015-07-28 US disclosed
US-20110184019-A1 Long chain N-Alkyl compounds and oxa-derivatives thereof THOMAS JEFFERSON UNIVERSITY 2011-07-28 US disclosed
US-7816560-B1 Long chain n-alkyl compounds and oxa-derivatives thereof THOMAS JEFFERSON UNIVERSITY (US) 2010-10-19 US disclosed
US-20100137365-A1 Long chain N-alkyl compounds and oxa-derivatives thereof THOMAS JEFFERSON UNIVERSITY 2010-06-03 US disclosed
EP-1210082-B1 LONG CHAIN N-ALKYL COMPOUNDS AND OXA-DERIVATIVES THEREOF AND USE AS ANTIVIRAL COMPOSITIONS UNIV OXFORD (GB) 2008-01-02 EP disclosed
EP-1210082-A2 LONG CHAIN N-ALKYL COMPOUNDS AND OXA-DERIVATIVES THEREOF AND USE AS ANTIVIRAL COMPOSITIONS THE CHANCELLOR, MASTERS AND SCHOLARS OF THE UNIVERSITY OF OXFORD (GB) 2002-06-05 EP disclosed
WO-2001010429-A2 LONG CHAIN N-ALKYL COMPOUNDS AND OXA-DERIVATIVES THEREOF AND USE AS ANTIVIRAL COMPOSITIONS THE CHANCELLOR, MASTERS, AND SCHOLARS OF THE UNIVERSITY OF OXFORD (GB) 2001-02-15 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 (2 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-20100137365-A1 Long chain N-alkyl compounds and oxa-derivatives thereof OXA1L, OTC, PAICS HPGD 1500/4885HTT 1700/4885ALDH1A1 1474/4885
US-20110184019-A1 Long chain N-Alkyl compounds and oxa-derivatives thereof OXA1L, OTC, PAICS HPGD 1500/4885HTT 1700/4885ALDH1A1 1474/4885

“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.