SCHEMBL384063

SCHEMBL384063

COC1O[C@H](C(C)OC(=O)c2ccc([N+](=O)[O-])cc2)[C@H]2OC(C)(C)O[C@@H]12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.39
POLB P06746 2/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
ADRB2 P07550 2/20 0.37
ADRB1 P08588 2/20 0.37
ADRB3 P13945 2/20 0.37
EPHX1 P07099 1/20 0.37
PTPN2 P17706 1/20 0.36
PTPN1 P18031 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL780151 1.00 ALDH1A1 (0.48) ALDH1A1L3MBTL1POLBKMT2AMEN1
SCHEMBL384061 0.85 ALDH1A1 (0.44) ALDH1A1L3MBTL1POLBKMT2AMEN1
SCHEMBL16300870 0.85 ALDH1A1 (0.44) ALDH1A1L3MBTL1POLBKMT2AMEN1
SCHEMBL882116 0.85 ALDH1A1 (0.44) ALDH1A1L3MBTL1POLBKMT2AMEN1
SCHEMBL2813727 0.82 POLB (0.42) ALDH1A1L3MBTL1POLBKMT2AMEN1
SCHEMBL780312 0.82 POLB (0.42) ALDH1A1L3MBTL1POLBKMT2AMEN1
SCHEMBL382928 0.82 POLB (0.42) ALDH1A1L3MBTL1POLBKMT2AMEN1
SCHEMBL14643936 0.77 ALDH1A1 (0.42) ALDH1A1L3MBTL1POLBKMT2AMEN1
SCHEMBL383198 0.77 LGALS3 (0.44) L3MBTL1POLBKMT2AMEN1EPHX1
SCHEMBL779104 0.77 LGALS3 (0.44) L3MBTL1POLBKMT2AMEN1EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2623104-A1 Substituted nucleoside and nucleotide analogs Alios Biopharma, Inc. (US) 2013-08-07 EP disclosed
EP-2408306-A1 SUBSTITUTED NUCLEOSIDE AND NUCLEOTIDE ANALOGS Alios Biopharma, Inc. (US) 2012-01-25 EP disclosed
US-20100249068-A1 SUBSTITUTED NUCLEOSIDE AND NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2010-09-30 US disclosed
WO-2010108140-A1 SUBSTITUTED NUCLEOSIDE AND NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2010-09-23 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-20100249068-A1 SUBSTITUTED NUCLEOSIDE AND NUCLEOTIDE ANALOGS PNP, TYMP, NTPCR ALDH1A1 2902/4885L3MBTL1 963/4885POLB 135/4885

“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.