SCHEMBL24345688

SCHEMBL24345688

CCC(=O)Oc1cc(OC(=O)OC)c2c(=O)c(OC(=O)CC)c(-c3cc(OC(=O)CC)c(OC(=O)CC)c(OC(=O)CC)c3)oc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 6/20 0.50
▸ ABCB1 P08183 2/20 0.43
▸ ABCC1 P33527 2/20 0.43
▸ ABCG2 Q9UNQ0 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ TERT O14746 3/20 0.42
▸ SLC22A2 O15244 1/20 0.42
▸ SLC22A1 O15245 1/20 0.42
▸ ACE2 Q9BYF1 1/20 0.39
▸ PPARG P37231 1/20 0.39
▸ TUBB4A P04350 1/20 0.39
▸ TUBB P07437 1/20 0.39
▸ TUBA3C P0DPH7 1/20 0.39
▸ TUBA1B P68363 1/20 0.39

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
SCHEMBL20581836 0.95 ADORA3 (0.55) ADORA3ABCB1ABCC1ABCG2KDM4E
SCHEMBL24344965 0.91 KDM4E (0.50) ADORA3ABCB1ABCC1ABCG2KDM4E
SCHEMBL23813683 0.88 ADORA3 (0.53) ADORA3ABCB1ABCC1ABCG2KDM4E
SCHEMBL22076419 0.86 ADORA3 (0.53) ADORA3ABCB1ABCC1ABCG2KDM4E
SCHEMBL20581904 0.85 ADORA3 (0.54) ADORA3ABCB1ABCC1ABCG2KDM4E
SCHEMBL22076468 0.85 ADORA3 (0.59) ADORA3ABCB1ABCC1ABCG2KDM4E
SCHEMBL23117583 0.84 ADORA3 (0.51) ADORA3ABCB1ABCC1ABCG2KDM4E
SCHEMBL23620821 0.79 ADORA3 (0.51) ADORA3ABCB1ABCC1ABCG2KDM4E
SCHEMBL23620819 0.79 ADORA3 (0.43) ADORA3ABCB1ABCC1ABCG2KDM4E
SCHEMBL23620822 0.79 ADORA3 (0.52) ADORA3ABCB1ABCC1ABCG2KDM4E

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 ADORA3 3697/4885ABCB1 4490/4885ABCC1 3656/4885

“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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