SCHEMBL3427735

SCHEMBL3427735

COc1ccc(COC(c2ccccc2)(c2ccc(OC)cc2)C2CC(O)CN2C(=O)CCCCCN)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.38
KCNH2 Q12809 1/20 0.38
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
MMP2 P08253 2/20 0.35
MMP9 P14780 2/20 0.35
MMP14 P50281 2/20 0.35
SLC6A1 P30531 2/20 0.34
PTGFR P43088 1/20 0.34
SLC6A11 P48066 1/20 0.34
RAB9A P51151 2/20 0.34
ALDH1A1 P00352 2/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34

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
SCHEMBL3427733 0.97 NPC1 (0.36) KIF11KCNH2CHRM5CHRM1CHRM3
SCHEMBL3428444 0.90 RAB9A (0.38) KIF11CHRM5CHRM1CHRM3SLC6A1
SCHEMBL3423554 0.90 BCL2 (0.37) CHRM5CHRM1CHRM3SLC6A1PTGFR
SCHEMBL3511894 0.87 LTA4H (0.36) CHRM5CHRM1CHRM3RAB9AALDH1A1
SCHEMBL3425260 0.87 ALDH1A1 (0.47) ALDH1A1LMNAMAPTHPGDMEN1
SCHEMBL3422392 0.86 PREP (0.45) CHRM5CHRM1CHRM3MAPT
SCHEMBL3425819 0.86 KIF11 (0.40) KIF11KCNH2CHRM5CHRM1CHRM3
SCHEMBL3425256 0.84 ALDH1A1 (0.45) ALDH1A1LMNAMAPTHPGDMEN1
SCHEMBL3422388 0.84 PREP (0.46) MAPT
SCHEMBL3423712 0.83 MMP2 (0.46) KIF11KCNH2CHRM5CHRM1CHRM3

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 16 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-7851615-B2 Lipophilic conjugated iRNA agents ALNYLAM PHARMACEUTICALS, INC. (US) 2010-12-14 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-20080108801-A1 Lipophilic Conjugated iRNA Agents BANK OF AMERICA, N.A. 2008-05-08 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 (8 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 KIF11 2678/4885KCNH2 3510/4885CHRM5 3938/4885
US-20190345498-A1 MODIFIED iRNA AGENTS NCL, HNRNPA0, HNRNPA1 KIF11 2678/4885KCNH2 3510/4885CHRM5 3938/4885
US-20100292455-A1 MODIFIED iRNA AGENTS NCL, HNRNPA0, HNRNPA1 KIF11 2678/4885KCNH2 3510/4885CHRM5 3938/4885
US-20180258427-A1 MODIFIED iRNA AGENTS NCL, HNRNPA0, HNRNPA1 KIF11 2678/4885KCNH2 3510/4885CHRM5 3938/4885
US-10676740-B2 Modified iRNA agents NCL, HNRNPA0, HNRNPA1 KIF11 2678/4885KCNH2 3510/4885CHRM5 3938/4885
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 KIF11 4064/4885KCNH2 3916/4885CHRM5 4501/4885
US-20080108801-A1 Lipophilic Conjugated iRNA Agents NCL, PARP1, HNRNPA1 KIF11 3032/4885KCNH2 3680/4885CHRM5 4720/4885
US-11312957-B2 Modified iRNA agents NCL, HNRNPA0, HNRNPA1 KIF11 2678/4885KCNH2 3510/4885CHRM5 3938/4885

“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.