SCHEMBL16299814

SCHEMBL16299814

CC1C(OCCOCCOCCN=[N+]=[N-])OC(COC(=O)c2ccccc2)C(OC(=O)c2ccccc2)C1OC(=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ PTPN1 P18031 5/20 0.41
▸ F11 P03951 2/20 0.38
▸ PTPN2 P17706 1/20 0.37
▸ PTPN11 Q06124 1/20 0.37
▸ ELANE P08246 1/20 0.36
▸ NT5E P21589 1/20 0.36
▸ CA1 P00915 2/20 0.36
▸ CA2 P00918 2/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ GAPDH P04406 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ TMPRSS2 O15393 1/20 0.36
▸ PDE5A O76074 1/20 0.36
▸ HMGCR P04035 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ LCK P06239 1/20 0.36

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
SCHEMBL19772808 0.93 PTPN1 (0.39) USP2MEN1POLBKMT2APTPN1
SCHEMBL16299195 0.92 PTPN1 (0.44) USP2MEN1POLBKMT2APTPN1
SCHEMBL20730008 0.92 PTPN1 (0.44) USP2MEN1POLBKMT2APTPN1
SCHEMBL14978164 0.92 PTPN1 (0.44) USP2MEN1POLBKMT2APTPN1
SCHEMBL16299766 0.89 ALDH1A1 (0.38) USP2MEN1POLBKMT2APTPN1
SCHEMBL14725535 0.89 ALDH1A1 (0.38) USP2MEN1POLBKMT2APTPN1
SCHEMBL15829779 0.89 ALDH1A1 (0.38) USP2MEN1POLBKMT2APTPN1
SCHEMBL18650690 0.85 PTPN1 (0.40) USP2MEN1POLBKMT2APTPN1
SCHEMBL20226192 0.84 PTPN1 (0.41) USP2MEN1POLBKMT2APTPN1
SCHEMBL18654300 0.84 PTPN1 (0.46) USP2MEN1POLBKMT2APTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20120035115-A1 CHEMICAL MODIFICATIONS OF MONOMERS AND OLIGONUCLEOTIDES WITH CYCLOADDITION DNMT1, LCK, MCTS1 USP2 4435/4885MEN1 216/4885POLB 190/4885

“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.

Send feedback