SCHEMBL26859

SCHEMBL26859

CC(COC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(C(=O)OC(C)(C)C)cc1[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.35
ALDH1A1 P00352 2/20 0.35
PDK1 Q15118 1/20 0.34
HTT P42858 3/20 0.34
NPSR1 Q6W5P4 1/20 0.34
THRB P10828 3/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 2/20 0.34
LMNA P02545 2/20 0.33
NTSR1 P30989 1/20 0.33
ABCC4 O15439 1/20 0.33
CACNA1F O60840 1/20 0.33
NR1I2 O75469 1/20 0.33
ABCB11 O95342 1/20 0.33
NR3C1 P04150 1/20 0.33
CYP1A2 P05177 1/20 0.33
PGR P06401 1/20 0.33
ABCB1 P08183 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
CNR1 P21554 1/20 0.33

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
SCHEMBL31260595 0.89 MAPT (0.35) MAPTALDH1A1PDK1HTTNPSR1
SCHEMBL26858 0.88 HCAR3 (0.41) MAPTALDH1A1PDK1
SCHEMBL16016767 0.86 ESR1 (0.42) MAPTALDH1A1NPSR1KMT2APOLB
SCHEMBL26219 0.82 ESR1 (0.38) MAPTALDH1A1NPSR1KMT2APOLB
SCHEMBL13049970 0.80 PDK1 (0.43) MAPTALDH1A1PDK1NPSR1THRB
SCHEMBL2957417 0.79 PDK1 (0.44) MAPTALDH1A1PDK1HTTNPSR1
SCHEMBL20717 0.76 HCAR3 (0.40) MAPTALDH1A1PDK1
SCHEMBL2947165 0.75 PDK1 (0.46) MAPTALDH1A1PDK1NPSR1THRB
SCHEMBL29887339 0.75 PDK1 (0.46) MAPTALDH1A1PDK1NPSR1THRB
SCHEMBL6687315 0.75 PDK1 (0.42) MAPTALDH1A1PDK1NPSR1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210300954-A1 IONIC TAGS FOR SYNTHESIS OF OLIGORIBONUCLEOTIDES THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIV (CA) 2021-09-30 US disclosed
US-11014948-B2 Ionic tags for synthesis of oligoribonucleotides THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2021-05-25 US disclosed
EP-2748176-B1 IONIC TAGS FOR SYNTHESIS OF OLIGORIBONUCLEOTIDES THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING / MCGILL UNIV (CA) 2019-04-17 EP disclosed
US-9920084-B2 Ionic tags for synthesis of oligoribonucleotides THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2018-03-20 US disclosed
US-9920084-B2 Ionic tags for synthesis of oligoribonucleotides THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2018-03-20 US disclosed
US-20140256926-A1 Ionic Tags for Synthesis of Oligoribonucleotides HONG KONG POLYTECHNIC UNIVERSITY (HK) 2014-09-11 US disclosed
US-20140256926-A1 Ionic Tags for Synthesis of Oligoribonucleotides HONG KONG POLYTECHNIC UNIVERSITY (HK) 2014-09-11 US disclosed
WO-2012024776-A1 BLOCK SYNTHESIS OF OLIGORIBONUCLEOTIDES THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2012-03-01 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 (3 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-11014948-B2 Ionic tags for synthesis of oligoribonucleotides RNGTT, OSTC, DTYMK MAPT 1176/4885ALDH1A1 3469/4885PDK1 4069/4885
US-20210300954-A1 IONIC TAGS FOR SYNTHESIS OF OLIGORIBONUCLEOTIDES RNGTT, OSTC, DTYMK MAPT 1176/4885ALDH1A1 3469/4885PDK1 4069/4885
US-20140256926-A1 Ionic Tags for Synthesis of Oligoribonucleotides RNGTT, OSTC, OSGEP MAPT 1116/4885ALDH1A1 3379/4885PDK1 4196/4885

“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.