SCHEMBL3428905

SCHEMBL3428905

COc1ccc(COC(c2ccccc2)(c2ccc(OC)cc2)C2CN(C(=O)CCCCCN3C(=O)c4ccccc4C3=O)CC2O)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
MAPT P10636 2/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HSD17B10 Q99714 1/20 0.44
KDM4E B2RXH2 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
TP53 P04637 1/20 0.40

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
SCHEMBL3428901 0.97 ALDH1A1 (0.47) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3424747 0.88 ALDH1A1 (0.44) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3423712 0.86 MMP2 (0.46) ALDH1A1LMNAHPGDKMT2AKDM4E
SCHEMBL3424743 0.85 ALDH1A1 (0.42) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3425260 0.85 ALDH1A1 (0.47) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3423710 0.84 MMP2 (0.47) ALDH1A1LMNAHPGDMEN1KMT2A
SCHEMBL3425256 0.82 ALDH1A1 (0.45) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3423687 0.81 PREP (0.44) MAPTHTT
SCHEMBL3423684 0.79 PREP (0.46) HTT
SCHEMBL3422171 0.77 MMP9 (0.46) HTTSMN1; SMN2

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 ALDH1A1 1745/4885CYP1A2 3847/4885CYP3A4 4431/4885
US-20190345498-A1 MODIFIED iRNA AGENTS NCL, HNRNPA0, HNRNPA1 ALDH1A1 1745/4885CYP1A2 3847/4885CYP3A4 4431/4885
US-20100292455-A1 MODIFIED iRNA AGENTS NCL, HNRNPA0, HNRNPA1 ALDH1A1 1745/4885CYP1A2 3847/4885CYP3A4 4431/4885
US-20180258427-A1 MODIFIED iRNA AGENTS NCL, HNRNPA0, HNRNPA1 ALDH1A1 1745/4885CYP1A2 3847/4885CYP3A4 4431/4885
US-10676740-B2 Modified iRNA agents NCL, HNRNPA0, HNRNPA1 ALDH1A1 1745/4885CYP1A2 3847/4885CYP3A4 4431/4885
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 ALDH1A1 1587/4885CYP1A2 4167/4885CYP3A4 4294/4885
US-11312957-B2 Modified iRNA agents NCL, HNRNPA0, HNRNPA1 ALDH1A1 1745/4885CYP1A2 3847/4885CYP3A4 4431/4885

“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.