SCHEMBL24344965

SCHEMBL24344965

CCC(=O)Oc1cc(OC(=O)OC)c2c(=O)c(OC(=O)CC)c(-c3ccc(OC(=O)CC)c(OC(=O)CC)c3)oc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.50
▸ CYP3A4 P08684 4/20 0.50
▸ ABCG2 Q9UNQ0 4/20 0.50
▸ MEN1 O00255 3/20 0.50
▸ MAPK1 P28482 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ ABCB1 P08183 3/20 0.50
▸ ABCC1 P33527 3/20 0.50
▸ ADORA3 P0DMS8 3/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ HSD17B10 Q99714 2/20 0.46
▸ ACE2 Q9BYF1 2/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ F10 P00742 1/20 0.45
▸ MAPT P10636 2/20 0.44
▸ CASP1 P29466 2/20 0.44
▸ CASP7 P55210 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ TP53 P04637 1/20 0.44

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
SCHEMBL20581904 0.95 ADORA3 (0.54) KDM4ECYP3A4ABCG2MEN1MAPK1
SCHEMBL24345688 0.91 ADORA3 (0.50) KDM4ECYP3A4ABCG2MEN1MAPK1
SCHEMBL20581913 0.87 ADORA3 (0.53) KDM4ECYP3A4ABCG2MEN1MAPK1
SCHEMBL22076468 0.87 ADORA3 (0.59) KDM4ECYP3A4ABCG2MEN1MAPK1
SCHEMBL20581836 0.85 ADORA3 (0.55) KDM4ECYP3A4ABCG2MEN1MAPK1
SCHEMBL23117590 0.85 ADORA3 (0.51) KDM4ECYP3A4ABCG2MEN1MAPK1
SCHEMBL22076430 0.85 MAPT (0.59) KDM4ECYP3A4ABCG2MEN1MAPK1
SCHEMBL8581588 0.84 ADORA3 (0.50) KDM4ECYP3A4ABCG2MEN1MAPK1
SCHEMBL11098925 0.84 ABCG2 (0.72) KDM4ECYP3A4ABCG2MEN1MAPK1
SCHEMBL20581896 0.83 ADORA3 (0.49) KDM4ECYP3A4ABCG2MEN1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220110960-A1 ACYLATED ACTIVE AGENTS AND METHODS OF THEIR USE FOR THE TREATMENT OF AUTOIMMUNE DISORDERS FLAGSHIP PIONEERING INNOVATIONS V, INC. 2022-04-14 — — 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 (1 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-20220110960-A1 ACYLATED ACTIVE AGENTS AND METHODS OF THEIR USE FOR THE TREATMENT OF AUTOIMMUNE DISORDERS ENPP2, MBOAT7, AADAC KDM4E 2430/4885CYP3A4 4519/4885ABCG2 4677/4885

“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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