SCHEMBL3423710

SCHEMBL3423710

COc1ccc(C(OCc2ccccc2)(c2ccc(OC)cc2)C2CN(C(=O)CCCCCN)CC2O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.47
MMP9 P14780 2/20 0.47
MMP14 P50281 2/20 0.47
MMP3 P08254 1/20 0.40
MMP7 P09237 1/20 0.40
MMP12 P39900 1/20 0.40
MMP13 P45452 1/20 0.40
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
KIF11 P52732 1/20 0.38
KCNH2 Q12809 1/20 0.38
SIGMAR1 Q99720 2/20 0.36
ALDH1A1 P00352 3/20 0.36
LMNA P02545 1/20 0.36
HDAC2 Q92769 1/20 0.35
HPGD P15428 1/20 0.35
EPOR P19235 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL3423712 0.97 MMP2 (0.46) MMP2MMP9MMP14MMP3MMP7
SCHEMBL3428901 0.86 ALDH1A1 (0.47) KMT2AKDM4EALDH1A1LMNAHPGD
SCHEMBL3423684 0.86 PREP (0.46)
SCHEMBL3423687 0.85 PREP (0.44)
SCHEMBL3428905 0.84 ALDH1A1 (0.49) KMT2AKDM4EALDH1A1LMNAHPGD
SCHEMBL3427733 0.83 NPC1 (0.36) MMP2MMP9MMP14MMP3MMP7
SCHEMBL3422166 0.81 MMP9 (0.47) MMP2MMP9MMP3MMP7MMP13
SCHEMBL3427735 0.80 KIF11 (0.38) MMP2MMP9MMP14MMP3MMP7
SCHEMBL3422171 0.80 MMP9 (0.46) MMP2MMP9MMP3MMP7MMP13
SCHEMBL3428444 0.75 RAB9A (0.38) RAB9ANPC1KMT2AKIF11ALDH1A1

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 MMP2 3840/4885MMP9 3228/4885MMP14 4755/4885
US-20190345498-A1 MODIFIED iRNA AGENTS NCL, HNRNPA0, HNRNPA1 MMP2 3840/4885MMP9 3228/4885MMP14 4755/4885
US-20100292455-A1 MODIFIED iRNA AGENTS NCL, HNRNPA0, HNRNPA1 MMP2 3840/4885MMP9 3228/4885MMP14 4755/4885
US-20180258427-A1 MODIFIED iRNA AGENTS NCL, HNRNPA0, HNRNPA1 MMP2 3840/4885MMP9 3228/4885MMP14 4755/4885
US-10676740-B2 Modified iRNA agents NCL, HNRNPA0, HNRNPA1 MMP2 3840/4885MMP9 3228/4885MMP14 4755/4885
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 MMP2 2534/4885MMP9 2185/4885MMP14 4434/4885
US-11312957-B2 Modified iRNA agents NCL, HNRNPA0, HNRNPA1 MMP2 3840/4885MMP9 3228/4885MMP14 4755/4885

“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.