SCHEMBL22830069

SCHEMBL22830069

COc1ccc(C(OC[C@@H]2O[C@@H](OCCCNC(=O)CCCNC(=O)OCC(O)COC(=O)NCCCC(=O)NCCCO[C@@H]3O[C@H](COC(c4ccccc4)(c4ccc(OC)cc4)c4ccc(OC)cc4)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3CC(N)=O)[C@H](CC(N)=O)[C@H](OC(C)=O)[C@H]2CC(=O)O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.31
▸ MAPT P10636 2/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ ALDH1A1 P00352 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
SCHEMBL22830105 0.98 LMNA (0.31) LMNAMAPTCYP3A4CYP2D6CYP2C19
SCHEMBL22830126 0.87 LMNA (0.35) LMNAMAPTCYP3A4CYP2D6CYP2C19
SCHEMBL22830054 0.87 LMNA (0.35) LMNAMAPTCYP3A4CYP2D6CYP2C19
SCHEMBL22830091 0.87 LMNA (0.35) LMNAMAPTCYP3A4CYP2D6CYP2C19
SCHEMBL29934233 0.86 LMNA (0.40) LMNAMAPTCYP3A4CYP2D6CYP2C19
SCHEMBL22830211 0.85 LMNA (0.36) LMNAMAPTCYP3A4CYP2D6CYP2C19
SCHEMBL22830271 0.84 KMT2A (0.39) LMNAMAPTCYP3A4CYP2D6CYP2C19
SCHEMBL27194581 0.83 KMT2A (0.38) LMNAMAPTCYP3A4CYP2D6CYP2C19
SCHEMBL22830171 0.82 KIF11 (0.35) LMNAMAPTCYP3A4CYP2D6CYP2C19
SCHEMBL22855324 0.80 LMNA (0.40) LMNAMAPTCYP3A4CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11958878-B2 Therapeutic agent for glycogen storage disease type IA DAIICHI SANKYO COMPANY, LIMITED (JP) 2024-04-16 — — US disclosed
US-20200407394-A1 THERAPEUTIC AGENT FOR GLYCOGEN STORAGE DISEASE TYPE IA DAIICHI SANKYO COMPANY, LIMITED (JP) 2020-12-31 — — 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-20200407394-A1 THERAPEUTIC AGENT FOR GLYCOGEN STORAGE DISEASE TYPE IA G6PC1, GAA, GBA3 LMNA 241/4885MAPT 863/4885CYP3A4 4459/4885
US-11958878-B2 Therapeutic agent for glycogen storage disease type IA G6PC1, GAA, GBA3 LMNA 144/4885MAPT 892/4885CYP3A4 4517/4885

“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.

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