SCHEMBL3425813

SCHEMBL3425813

COc1ccc(C(OCc2ccccc2)(c2ccc(OC)cc2)C2CC(O)CN2CCCCCCN)cc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.38
KCNH2 Q12809 1/20 0.38
GBA1 P04062 3/20 0.36
UGCG Q16739 3/20 0.36
GBA2 Q9HCG7 3/20 0.36
GAA P10253 1/20 0.35
OPRM1 P35372 2/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CHRM3 P20309 2/20 0.34
SIGMAR1 Q99720 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 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
SCHEMBL3425819 0.97 KIF11 (0.40) KIF11KCNH2GBA1UGCGGBA2
SCHEMBL3427733 0.85 NPC1 (0.36) KIF11KCNH2OPRM1NPC1RAB9A
SCHEMBL3425231 0.84 KEAP1 (0.42)
SCHEMBL3425237 0.83 KEAP1 (0.41) CHRM3
SCHEMBL3427735 0.83 KIF11 (0.38) KIF11KCNH2NPC1RAB9ACHRM3
SCHEMBL3428444 0.78 RAB9A (0.38) KIF11NPC1RAB9ACHRM3ALDH1A1
SCHEMBL3425256 0.76 ALDH1A1 (0.45) ALDH1A1
SCHEMBL3511894 0.75 LTA4H (0.36) NPC1RAB9ACHRM3SIGMAR1ALDH1A1
SCHEMBL3423710 0.75 MMP2 (0.47) KIF11KCNH2NPC1RAB9ASIGMAR1
SCHEMBL3425260 0.74 ALDH1A1 (0.47) ALDH1A1

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 KIF11 2678/4885KCNH2 3510/4885GBA1 248/4885
US-20190345498-A1 MODIFIED iRNA AGENTS NCL, HNRNPA0, HNRNPA1 KIF11 2678/4885KCNH2 3510/4885GBA1 248/4885
US-20100292455-A1 MODIFIED iRNA AGENTS NCL, HNRNPA0, HNRNPA1 KIF11 2678/4885KCNH2 3510/4885GBA1 248/4885
US-20180258427-A1 MODIFIED iRNA AGENTS NCL, HNRNPA0, HNRNPA1 KIF11 2678/4885KCNH2 3510/4885GBA1 248/4885
US-10676740-B2 Modified iRNA agents NCL, HNRNPA0, HNRNPA1 KIF11 2678/4885KCNH2 3510/4885GBA1 248/4885
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 3916/4885GBA1 124/4885
US-11312957-B2 Modified iRNA agents NCL, HNRNPA0, HNRNPA1 KIF11 2678/4885KCNH2 3510/4885GBA1 248/4885

“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.