SCHEMBL5534787

SCHEMBL5534787

CC(C)(C)C(=O)OCOCOC(=O)C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.43
BTN3A1 O00481 5/20 0.40
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ENO1 P06733 1/20 0.35
ELANE P08246 5/20 0.34
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
NPC1 O15118 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
SCHEMBL681950 0.88 PRKCA (0.46) PRKCABTN3A1ALDH1A1POLBGAA
SCHEMBL13686395 0.87 PRKCA (0.39) PRKCABTN3A1ALDH1A1POLBGAA
SCHEMBL11645846 0.87 PRKCA (0.48) PRKCABTN3A1ALDH1A1POLBGAA
SCHEMBL13064109 0.84 PRKCA (0.37) PRKCABTN3A1ALDH1A1POLBGAA
SCHEMBL10874209 0.82 BTN3A1 (0.41) PRKCABTN3A1ALDH1A1POLBGAA
SCHEMBL15472935 0.81 PRKCA (0.42) PRKCABTN3A1ALDH1A1POLBGAA
SCHEMBL434232 0.81 PRKCA (0.42) PRKCABTN3A1ALDH1A1POLBGAA
SCHEMBL807413 0.81 PRKCA (0.42) PRKCABTN3A1ALDH1A1POLBGAA
SCHEMBL15424775 0.79 PRKCA (0.41) PRKCABTN3A1ALDH1A1POLBGAA
SCHEMBL8716409 0.79 PRKCA (0.41) PRKCABTN3A1ALDH1A1POLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0049499-B1 CEPHALOSPORIN DERIVATIVES, PROCESS FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND INTERMEDIATES FOR THEIR PREPARATION F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1986-01-29 EP claimed
US-4412070-A ANTIBIOTICS HOFFMANN-LA ROCHE INC. (US) 1983-10-25 US claimed
EP-0049499-A2 Cephalosporin derivatives, process for their preparation, pharmaceutical compositions containing them and intermediates for their preparation F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1982-04-14 EP claimed
CN-119097698-A Inhibitors of mevalonate pathway as efficient vaccine adjuvants 清华大学 2024-12-10 CN disclosed
CN-114848656-B Inhibitors of mevalonate pathway as efficient vaccine adjuvants 清华大学 2024-09-27 CN disclosed
CN-117986251-A 4H-pyrrolo [3,2-c ] pyridin-4-one compounds 拜耳股份有限公司 2024-05-07 CN disclosed
CN-117946100-A 4H-pyrrolo [3,2-c ] pyridin-4-one compounds 拜耳股份有限公司 2024-04-30 CN disclosed
CN-114127064-B 4H-pyrrolo [3,2-c ] pyridin-4-one compounds 拜耳股份有限公司 2023-12-26 CN disclosed
CN-115073421-B Carboxylic aromatic amides as bradykinin B1 receptor antagonists 拜耳制药股份公司 2023-12-19 CN disclosed
CN-111225672-B Mevalonate pathway inhibitor and pharmaceutical composition thereof 清华大学 2023-09-29 CN disclosed
CN-115137726-A Carboxylic acid aromatic amides as bradykinin B1 receptor antagonists 拜耳制药股份公司 2022-10-04 CN disclosed
CN-107406417-B 4H-pyrrolo [3,2-c ] pyridin-4-one derivatives 拜耳制药股份公司 2020-06-09 CN disclosed
CN-111225672-A Mevalonate pathway inhibitors and pharmaceutical compositions thereof 清华大学 2020-06-02 CN disclosed
WO-2019076269-A1 MEVALONIC ACID PATHWAY INHIBITOR AND PHARMACEUTICAL COMPOSITION THEREOF 清华大学 2019-04-25 WO disclosed
CN-103974964-B Process for preparing beta-C-aryl glucosides SCINOPHARM TAIWAN, LTD. (CN) 2016-03-23 CN disclosed
US-20070072835-A1 Method of preparing and use of prodrugs of betulinic acid derivatives THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2007-03-29 US disclosed
US-7091195-B2 Method of preparing and use of prodrugs of betulinic acid derivatives THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2006-08-15 US disclosed
US-20030186945-A1 Method of preparing and use of prodrugs of betulinic acid derivatives THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2003-10-02 US disclosed
US-6569842-B2 Method of preparing and use of prodrugs of betulinic acid derivatives BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS, THE 2003-05-27 US disclosed
US-20020052352-A1 Method of preparing and use of prodrugs of betulinic acid derivatives NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2002-05-02 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 (3 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-20070072835-A1 Method of preparing and use of prodrugs of betulinic acid derivatives BET1, PGGT1B, RABGGTB PRKCA 1311/4885BTN3A1 672/4885ALDH1A1 2524/4885
US-20030186945-A1 Method of preparing and use of prodrugs of betulinic acid derivatives BET1, PGGT1B, RABGGTB PRKCA 1311/4885BTN3A1 672/4885ALDH1A1 2524/4885
US-20020052352-A1 Method of preparing and use of prodrugs of betulinic acid derivatives BET1, PGGT1B, RABGGTB PRKCA 1311/4885BTN3A1 672/4885ALDH1A1 2524/4885

“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.