SCHEMBL20581836

SCHEMBL20581836

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 6/20 0.55
▸ KDM4E B2RXH2 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ ABCB1 P08183 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ ABCC1 P33527 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ ABCG2 Q9UNQ0 1/20 0.44
▸ TERT O14746 2/20 0.43
▸ SLC22A2 O15244 1/20 0.43
▸ SLC22A1 O15245 1/20 0.43
▸ ACE2 Q9BYF1 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ GLA P06280 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ MAPT P10636 1/20 0.42

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
SCHEMBL24345688 0.95 ADORA3 (0.50) ADORA3KDM4EALDH1A1MAPK1MEN1
SCHEMBL23813683 0.93 ADORA3 (0.53) ADORA3KDM4EALDH1A1MAPK1MEN1
SCHEMBL22076419 0.91 ADORA3 (0.53) ADORA3KDM4EALDH1A1MAPK1MEN1
SCHEMBL20581904 0.90 ADORA3 (0.54) ADORA3KDM4EALDH1A1MAPK1MEN1
SCHEMBL22076468 0.90 ADORA3 (0.59) ADORA3KDM4EALDH1A1MAPK1MEN1
SCHEMBL23117583 0.89 ADORA3 (0.51) ADORA3KDM4EALDH1A1MAPK1MEN1
SCHEMBL24344965 0.85 KDM4E (0.50) ADORA3KDM4EALDH1A1MAPK1MEN1
SCHEMBL23620821 0.84 ADORA3 (0.51) ADORA3KDM4EALDH1A1MAPK1MEN1
SCHEMBL23620819 0.84 ADORA3 (0.43) ADORA3KDM4EALDH1A1MAPK1MEN1
SCHEMBL23620822 0.83 ADORA3 (0.52) ADORA3KDM4EALDH1A1MAPK1MEN1

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12115178-B2 Acylated active agents and methods of their use for the treatment of autoimmune disorders FLAGSHIP PIONEERING INNOVATIONS V, INC. (US) 2024-10-15 — — US disclosed
EP-3634430-B1 MULTIBIOTIC AGENTS AND METHODS OF USING THE SAME FLAGSHIP PIONEERING INNOVATIONS V INC (US) 2024-08-07 — — EP disclosed
US-20240180941-A1 ACTIVE AGENTS AND METHODS OF THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS AND NONALCOHOLIC FATTY LIVER DISEASE FLAGSHIP PIONEERING INNOVATIONS V INC (US) 2024-06-06 — — US disclosed
US-11813272-B2 Active agents and methods of their use for the treatment of metabolic disorders and nonalcoholic fatty liver disease FLAGSHIP PIONEERING INNOVATIONS V, INC. (US) 2023-11-14 — — US disclosed
US-11813272-B2 Active agents and methods of their use for the treatment of metabolic disorders and nonalcoholic fatty liver disease FLAGSHIP PIONEERING INNOVATIONS V, INC. (US) 2023-11-14 — — US disclosed
US-11813272-B2 Active agents and methods of their use for the treatment of metabolic disorders and nonalcoholic fatty liver disease FLAGSHIP PIONEERING INNOVATIONS V, INC. (US) 2023-11-14 — — US disclosed
US-20230293458-A1 MULTIBIOTIC AGENTS AND METHODS OF USING THE SAME FLAGSHIP PIONEERING INNOVATIONS V INC (US) 2023-09-21 — — US disclosed
US-20230293458-A1 MULTIBIOTIC AGENTS AND METHODS OF USING THE SAME FLAGSHIP PIONEERING INNOVATIONS V INC (US) 2023-09-21 — — US disclosed
US-20230293458-A1 MULTIBIOTIC AGENTS AND METHODS OF USING THE SAME FLAGSHIP PIONEERING INNOVATIONS V INC (US) 2023-09-21 — — US disclosed
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
US-20210085640-A1 ACYLATED CATECHIN POLYPHENOLS AND METHODS OF THEIR USE FOR THE TREATMENT OF CANCER FLAGSHIP PIONEERING INNOVATIONS V, INC. 2021-03-25 — — US disclosed
US-10953027-B2 Active agents and methods of their use for the treatment of metabolic disorders and nonalcoholic fatty liver disease FLAGSHIP PIONEERING INNOVATIONS V, INC. (US) 2021-03-23 — — US disclosed
US-10953027-B2 Active agents and methods of their use for the treatment of metabolic disorders and nonalcoholic fatty liver disease FLAGSHIP PIONEERING INNOVATIONS V, INC. (US) 2021-03-23 — — US disclosed
US-20200197428-A1 ACTIVE AGENTS AND METHODS OF THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS AND NONALCOHOLIC FATTY LIVER DISEASE FLAGSHIP PIONEERING, INC. 2020-06-25 — — US disclosed
US-20200197428-A1 ACTIVE AGENTS AND METHODS OF THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS AND NONALCOHOLIC FATTY LIVER DISEASE FLAGSHIP PIONEERING, INC. 2020-06-25 — — US disclosed
US-20200188418-A1 ACYLATED ACTIVE AGENTS AND METHODS OF THEIR USE FOR THE TREATMENT OF AUTOIMMUNE DISORDERS SENDA BIOSCIENCES, INC. 2020-06-18 — — US disclosed
US-20200188418-A1 ACYLATED ACTIVE AGENTS AND METHODS OF THEIR USE FOR THE TREATMENT OF AUTOIMMUNE DISORDERS SENDA BIOSCIENCES, INC. 2020-06-18 — — US disclosed
EP-3634430-A1 MULTIBIOTIC AGENTS AND METHODS OF USING THE SAME Flagship Pioneering Innovations V, Inc. (US) 2020-04-15 — — EP disclosed
US-20200101030-A1 MULTIBIOTIC AGENTS AND METHODS OF USING THE SAME KINTAI THERAPEUTICS, INC. 2020-04-02 — — US disclosed
WO-2018226732-A1 MULTIBIOTIC AGENTS AND METHODS OF USING THE SAME FLAGSHIP PIONEERING INNOVATIONS V, INC. (US) 2018-12-13 — — WO 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 (10 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-11813272-B2 Active agents and methods of their use for the treatment of metabolic disorders and nonalcoholic fatty liver disease FABP1, PYGL, LIPC ADORA3 2284/4885KDM4E 4251/4885ALDH1A1 410/4885
US-20240180941-A1 ACTIVE AGENTS AND METHODS OF THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS AND NONALCOHOLIC FATTY LIVER DISEASE FABP1, PYGL, LIPC ADORA3 2284/4885KDM4E 4251/4885ALDH1A1 410/4885
US-20210085640-A1 ACYLATED CATECHIN POLYPHENOLS AND METHODS OF THEIR USE FOR THE TREATMENT OF CANCER ACAT2, ACAT1, FABP6 ADORA3 4359/4885KDM4E 1739/4885ALDH1A1 290/4885
US-20220110960-A1 ACYLATED ACTIVE AGENTS AND METHODS OF THEIR USE FOR THE TREATMENT OF AUTOIMMUNE DISORDERS ENPP2, MBOAT7, AADAC ADORA3 3697/4885KDM4E 2430/4885ALDH1A1 759/4885
US-20200101030-A1 MULTIBIOTIC AGENTS AND METHODS OF USING THE SAME SI, FABP2, CEL ADORA3 3910/4885KDM4E 2438/4885ALDH1A1 1112/4885
US-20200188418-A1 ACYLATED ACTIVE AGENTS AND METHODS OF THEIR USE FOR THE TREATMENT OF AUTOIMMUNE DISORDERS ENPP2, MBOAT7, AADAC ADORA3 3697/4885KDM4E 2430/4885ALDH1A1 759/4885
US-20230293458-A1 MULTIBIOTIC AGENTS AND METHODS OF USING THE SAME SI, FABP2, CEL ADORA3 3910/4885KDM4E 2438/4885ALDH1A1 1112/4885
US-12115178-B2 Acylated active agents and methods of their use for the treatment of autoimmune disorders ENPP2, MBOAT7, AADAC ADORA3 3697/4885KDM4E 2430/4885ALDH1A1 759/4885
US-20200197428-A1 ACTIVE AGENTS AND METHODS OF THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS AND NONALCOHOLIC FATTY LIVER DISEASE FABP1, PYGL, LIPC ADORA3 2284/4885KDM4E 4251/4885ALDH1A1 410/4885
US-10953027-B2 Active agents and methods of their use for the treatment of metabolic disorders and nonalcoholic fatty liver disease FABP1, PYGL, LIPC ADORA3 2284/4885KDM4E 4251/4885ALDH1A1 410/4885

“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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