SCHEMBL3425992

SCHEMBL3425992

COc1ccc(C(OCc2ccccc2)(c2ccc(OC)cc2)C2CC(OC(=O)CCC(=O)O)CN2C(=O)CCCCCN(C)C)cc1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.34
CHRM5 P08912 2/20 0.34
CHRM1 P11229 2/20 0.34
CHRM3 P20309 2/20 0.34
EGFR P00533 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
BCL2 P10415 1/20 0.33
ALOX5 P09917 1/20 0.33
SIRT2 Q8IXJ6 2/20 0.32
CYP2D6 P10635 3/20 0.31
HTR2A P28223 3/20 0.31
TBXAS1 P24557 1/20 0.31
FFAR1 O14842 1/20 0.31
PTGFR P43088 1/20 0.31
GHSR Q92847 1/20 0.31

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
SCHEMBL3426000 0.98 CHRM5 (0.35) LTA4HCHRM5CHRM1CHRM3L3MBTL1
SCHEMBL3511894 0.86 LTA4H (0.36) LTA4HCHRM5CHRM1CHRM3EGFR
SCHEMBL3693935 0.86 PRCP (0.40)
SCHEMBL3698157 0.86 PRCP (0.40)
SCHEMBL3423554 0.84 BCL2 (0.37) LTA4HCHRM5CHRM1CHRM3L3MBTL1
SCHEMBL3693937 0.84 CNR1 (0.39) CYP2D6
SCHEMBL3698159 0.84 CNR1 (0.39) CYP2D6
SCHEMBL3692376 0.82 CNR1 (0.45)
SCHEMBL3424209 0.79 TBXAS1 (0.38) SIRT2TBXAS1
SCHEMBL3424211 0.77 TBXAS1 (0.39) TBXAS1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (2 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-20100292455-A1 MODIFIED iRNA AGENTS NCL, HNRNPA0, HNRNPA1 LTA4H 4028/4885CHRM5 3938/4885CHRM1 3733/4885
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 LTA4H 1959/4885CHRM5 4501/4885CHRM1 4391/4885

“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.