SCHEMBL16299781

SCHEMBL16299781

CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCCCCCCN=[N+]=[N-]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.59
ALDH1A1 P00352 6/20 0.57
MAPT P10636 1/20 0.57
THRB P10828 1/20 0.57
CNR1 P21554 1/20 0.57
PRSS1 P07477 1/20 0.52
PRSS2 P07478 1/20 0.52
PRSS3 P35030 1/20 0.52
FABP3 P05413 3/20 0.51
CYP3A4 P08684 2/20 0.51
ALOX15 P16050 2/20 0.51
TSHR P16473 2/20 0.51
HSD17B10 Q99714 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
F7 P08709 3/20 0.49
F3 P13726 3/20 0.49
PPARG P37231 2/20 0.49
PPARD Q03181 2/20 0.49
PPARA Q07869 2/20 0.49
DUSP3 P51452 1/20 0.49

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
SCHEMBL16299756 0.96 PRSS1 (0.56) MGLLALDH1A1MAPTTHRBCNR1
SCHEMBL16299753 0.88 PRSS1 (0.64) ALDH1A1MAPTPRSS1PRSS2PRSS3
SCHEMBL16299767 0.88 PRSS1 (0.64) ALDH1A1MAPTPRSS1PRSS2PRSS3
SCHEMBL25243900 0.87 MGLL (0.75) MGLLALDH1A1MAPTTHRBCNR1
SCHEMBL25291661 0.87 MGLL (0.75) MGLLALDH1A1MAPTTHRBCNR1
SCHEMBL25250475 0.87 MGLL (0.75) MGLLALDH1A1MAPTTHRBCNR1
SCHEMBL25242345 0.87 MGLL (0.75) MGLLALDH1A1MAPTTHRBCNR1
SCHEMBL25256177 0.87 MGLL (0.75) MGLLALDH1A1MAPTTHRBCNR1
SCHEMBL25245303 0.87 MGLL (0.75) MGLLALDH1A1MAPTTHRBCNR1
SCHEMBL25290969 0.87 MGLL (0.75) MGLLALDH1A1MAPTTHRBCNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150203847-A1 CHEMICAL MODIFICATIONS OF MONOMERS AND OLIGONUCLEOTIDES WITH CYCLOADDITION ALNYLAM PHARMACEUTICALS INC (US) 2015-07-23 US disclosed
US-20150203847-A1 CHEMICAL MODIFICATIONS OF MONOMERS AND OLIGONUCLEOTIDES WITH CYCLOADDITION ALNYLAM PHARMACEUTICALS INC (US) 2015-07-23 US disclosed
US-8962580-B2 Chemical modifications of monomers and oligonucleotides with cycloaddition ALNYLAM PHARMACEUTICALS, INC. (US) 2015-02-24 US disclosed
US-8962580-B2 Chemical modifications of monomers and oligonucleotides with cycloaddition ALNYLAM PHARMACEUTICALS, INC. (US) 2015-02-24 US disclosed
US-20120035115-A1 CHEMICAL MODIFICATIONS OF MONOMERS AND OLIGONUCLEOTIDES WITH CYCLOADDITION ALNYLAM PHARMACEUTICALS, INC. (US) 2012-02-09 US disclosed
US-20120035115-A1 CHEMICAL MODIFICATIONS OF MONOMERS AND OLIGONUCLEOTIDES WITH CYCLOADDITION ALNYLAM PHARMACEUTICALS, INC. (US) 2012-02-09 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 (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-20150203847-A1 CHEMICAL MODIFICATIONS OF MONOMERS AND OLIGONUCLEOTIDES WITH CYCLOADDITION DNMT1, LCK, MCTS1 MGLL 4356/4885ALDH1A1 848/4885MAPT 3742/4885
US-20120035115-A1 CHEMICAL MODIFICATIONS OF MONOMERS AND OLIGONUCLEOTIDES WITH CYCLOADDITION DNMT1, LCK, MCTS1 MGLL 4356/4885ALDH1A1 848/4885MAPT 3742/4885

“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.