SCHEMBL3422171

SCHEMBL3422171

COc1ccc(COC(c2ccccc2)(c2ccc(OC)cc2)C2CN(C(=O)OCc3ccccc3)CC2O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 4/20 0.46
MMP1 P03956 3/20 0.46
MMP3 P08254 3/20 0.46
MMP7 P09237 2/20 0.46
MMP13 P45452 1/20 0.46
GRIN2B Q13224 1/20 0.45
BCL9 O00512 1/20 0.44
CTNNB1 P35222 1/20 0.44
ADAM17 P78536 1/20 0.43
ADAM9 Q13443 1/20 0.43
P2RX4 Q99571 1/20 0.43
MMP2 P08253 1/20 0.42
MMP8 P22894 1/20 0.42
HTT P42858 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM1A O60341 1/20 0.41
CHRM1 P11229 2/20 0.41
CHRM2 P08172 1/20 0.41

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
SCHEMBL3422166 0.98 MMP9 (0.47) MMP9MMP1MMP3MMP7MMP13
SCHEMBL3423687 0.82 PREP (0.44) HTT
SCHEMBL3423712 0.81 MMP2 (0.46) MMP9MMP3MMP7MMP13MMP2
SCHEMBL3423710 0.80 MMP2 (0.47) MMP9MMP3MMP7MMP13MMP2
SCHEMBL3423684 0.79 PREP (0.46) HTT
SCHEMBL11243022 0.78 MMP9 (0.50) MMP9MMP1MMP3MMP7MMP13
SCHEMBL11243025 0.78 MMP9 (0.50) MMP9MMP1MMP3MMP7MMP13
SCHEMBL1037119 0.78 MMP9 (0.43) MMP9MMP1MMP3MMP7MMP13
SCHEMBL3428905 0.77 ALDH1A1 (0.49) HTTSMN1; SMN2
SCHEMBL2621378 0.76 SMN1; SMN2 (0.61) GRIN2BP2RX4HTTNPC1RAB9A

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 MMP9 3228/4885MMP1 2619/4885MMP3 3500/4885
US-20190345498-A1 MODIFIED iRNA AGENTS NCL, HNRNPA0, HNRNPA1 MMP9 3228/4885MMP1 2619/4885MMP3 3500/4885
US-20100292455-A1 MODIFIED iRNA AGENTS NCL, HNRNPA0, HNRNPA1 MMP9 3228/4885MMP1 2619/4885MMP3 3500/4885
US-20180258427-A1 MODIFIED iRNA AGENTS NCL, HNRNPA0, HNRNPA1 MMP9 3228/4885MMP1 2619/4885MMP3 3500/4885
US-10676740-B2 Modified iRNA agents NCL, HNRNPA0, HNRNPA1 MMP9 3228/4885MMP1 2619/4885MMP3 3500/4885
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 MMP9 2185/4885MMP1 1931/4885MMP3 3175/4885
US-11312957-B2 Modified iRNA agents NCL, HNRNPA0, HNRNPA1 MMP9 3228/4885MMP1 2619/4885MMP3 3500/4885

“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.