SCHEMBL3425231

SCHEMBL3425231

COc1ccc(C(OCc2ccccc2)(c2ccc(OC)cc2)C2CC(O)CN2CCCCCCNC(=O)OCc2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 2/20 0.42
NFE2L2 Q16236 2/20 0.42
TGM2 P21980 1/20 0.41
GHSR Q92847 1/20 0.40
HTT P42858 1/20 0.39
DPP8 Q6V1X1 4/20 0.39
DPP7 Q9UHL4 4/20 0.39
DPP4 P27487 3/20 0.38
DPP9 Q86TI2 2/20 0.38
ABCB1 P08183 1/20 0.38
MAPT P10636 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
FOLH1 Q04609 2/20 0.37
STING1 Q86WV6 1/20 0.37
PREP P48147 1/20 0.36
LMNA P02545 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
SCHEMBL3425237 0.98 KEAP1 (0.41) KEAP1NFE2L2TGM2GHSRHTT
SCHEMBL3422388 0.89 PREP (0.46) KEAP1NFE2L2TGM2HTTDPP8
SCHEMBL3422392 0.87 PREP (0.45) KEAP1NFE2L2TGM2HTTDPP8
SCHEMBL3425813 0.84 KIF11 (0.38)
SCHEMBL3425819 0.82 KIF11 (0.40)
SCHEMBL3423684 0.79 PREP (0.46) KEAP1NFE2L2TGM2HTTDPP8
SCHEMBL13032646 0.78 TGM2 (0.51) KEAP1NFE2L2TGM2GHSRHTT
SCHEMBL3423687 0.78 PREP (0.44) KEAP1NFE2L2TGM2HTTDPP8
SCHEMBL3422521 0.77 TLR2 (0.39) PREP
SCHEMBL13032633 0.76 TGM2 (0.50) KEAP1NFE2L2TGM2HTTDPP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220403377-A1 MODIFIED iRNA AGENTS ALNYLAM PHARMACEUTICALS, INC. 2022-12-22 US disclosed
US-11312957-B2 Modified iRNA agents ALNYLAM PHARMACEUTICALS, INC. (US) 2022-04-26 US disclosed
US-10676740-B2 Modified iRNA agents ALNYLAM PHARMACEUTICALS, INC. (US) 2020-06-09 US disclosed
US-20190345498-A1 MODIFIED iRNA AGENTS BANK OF AMERICA, N.A. 2019-11-14 US disclosed
US-20180258427-A1 MODIFIED iRNA AGENTS BANK OF AMERICA, N.A. 2018-09-13 US disclosed
US-20160264968-A1 MODIFIED iRNA AGENTS ALNYLAM PHARMACEUTICALS, INC. 2016-09-15 US disclosed
US-9394540-B2 Modified iRNA agents ALNYLAM PHARMACEUTICALS, INC. (US) 2016-07-19 US disclosed
US-20140316124-A1 MODIDIFED iRNA AGENTS BANK OF AMERICA, N.A. 2014-10-23 US disclosed
US-8796436-B2 Modified iRNA agents ALNYLAM PHARMACEUTICALS, INC. (US) 2014-08-05 US disclosed
US-20130211063-A1 MODIFIED iRNA AGENTS ALNYLAM PHARMACEUTICALS, INC. (US) 2013-08-15 US disclosed
US-8507661-B2 Modified iRNA agents ALNYLAM PHARMACEUTICALS, INC. (US) 2013-08-13 US disclosed
US-20100292455-A1 MODIFIED iRNA AGENTS ALNYLAM PHARMACEUTICALS (US) 2010-11-18 US disclosed
US-7745608-B2 Modified iRNA agents ALNYLAM PHARMACEUTICALS, INC. (US) 2010-06-29 US disclosed
US-20050107325-A1 Conjugated lipophilic group with a modified nucleotide is used to target disease gene, cells, tissue, for drug delivery to entrance into tumor cells; ribose sugar of nucleotide is replaced with a cyclic carrier which has at least one attached phosphate or phosphorothioate group; antitumor biodrugs ALNYLAM PHARMACEUTICALS, INC. 2005-05-19 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 (7 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-20220403377-A1 MODIFIED iRNA AGENTS NCL, HNRNPA0, HNRNPA1 KEAP1 1695/4885NFE2L2 2294/4885TGM2 3248/4885
US-20190345498-A1 MODIFIED iRNA AGENTS NCL, HNRNPA0, HNRNPA1 KEAP1 1695/4885NFE2L2 2294/4885TGM2 3248/4885
US-20100292455-A1 MODIFIED iRNA AGENTS NCL, HNRNPA0, HNRNPA1 KEAP1 1695/4885NFE2L2 2294/4885TGM2 3248/4885
US-20180258427-A1 MODIFIED iRNA AGENTS NCL, HNRNPA0, HNRNPA1 KEAP1 1695/4885NFE2L2 2294/4885TGM2 3248/4885
US-10676740-B2 Modified iRNA agents NCL, HNRNPA0, HNRNPA1 KEAP1 1695/4885NFE2L2 2294/4885TGM2 3248/4885
US-20050107325-A1 Conjugated lipophilic group with a modified nucleotide is used to target disease gene, cells, tissue, for drug delivery to entrance into tumor cells; ribose sugar of nucleotide is replaced with a cyclic carrier which has at least one attached phosphate or phosphorothioate group; antitumor biodrugs LDLR, SLC29A1, SLC29A2 KEAP1 3218/4885NFE2L2 3756/4885TGM2 3410/4885
US-11312957-B2 Modified iRNA agents NCL, HNRNPA0, HNRNPA1 KEAP1 1695/4885NFE2L2 2294/4885TGM2 3248/4885

“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.