SCHEMBL247442

SCHEMBL247442

CC(=O)OCC(C)(C)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
LMNA P02545 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP2C9 P11712 1/20 0.38
TSHR P16473 3/20 0.35
CHRM5 P08912 2/20 0.34
CHRM1 P11229 2/20 0.34
CHRM3 P20309 2/20 0.34
GAA P10253 2/20 0.34
PGR P06401 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
HTR1A P08908 1/20 0.34
CHRNB2 P17787 1/20 0.34
TBXA2R P21731 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA4 P43681 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
Hydrochloric Acid SCHEMBL9126771 0.98 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10CYP2C9TSHR
SCHEMBL6128464 0.82 ALDH1A1 (0.43) ALDH1A1LMNAHSD17B10TSHRCHRM5
SCHEMBL1114434 0.80 TSHR (0.44) ALDH1A1LMNAHSD17B10TSHRCHRM5
SCHEMBL3481452 0.80 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10TSHRCHRM5
SCHEMBL8052693 0.78 CYP2C9 (0.42) ALDH1A1CYP2C9TSHRCHRM1TBXA2R
Hydrochloric Acid SCHEMBL7654212 0.78 TSHR (0.42) ALDH1A1LMNAHSD17B10TSHRCHRM5
SCHEMBL29228036 0.78 CYP2C9 (0.37) ALDH1A1CYP2C9TSHRACLYCYP2D6
SCHEMBL1267156 0.78 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10TSHRCHRM5
SCHEMBL14906812 0.78 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10TSHRCHRM5
SCHEMBL11757494 0.78 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10TSHRCHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4051680-B1 CONDENSED BI-HETEROCYCLES AS INHIBITING AGENTS FOR BRUTON'S TYROSINE KINASE BIOGEN MA INC (US) 2025-09-03 EP disclosed
US-12391697-B2 Condensed bi-heterocycles as inhibiting agents for Bruton's tyrosine kinase BIOGEN MA INC. (US) 2025-08-19 US disclosed
US-20250243177-A1 sGC STIMULATORS CYCLERION THERAPEUTICS, INC. 2025-07-31 US disclosed
US-20240158415-A1 AMINOPYRIDINE DERIVATIVES AS PHOSPHATIDYLINOSITOL PHOSPHATE KINASE INHIBITORS HIBERCELL INC (US) 2024-05-16 US disclosed
US-11667651-B2 Aminopyridine derivatives as phosphatidylinositol phosphate kinase inhibitors HIBERCELL, INC. (US) 2023-06-06 US disclosed
US-11667651-B2 Aminopyridine derivatives as phosphatidylinositol phosphate kinase inhibitors HIBERCELL, INC. (US) 2023-06-06 US disclosed
US-11667651-B2 Aminopyridine derivatives as phosphatidylinositol phosphate kinase inhibitors HIBERCELL, INC. (US) 2023-06-06 US disclosed
WO-2023084449-A1 DIAMINOCYCLOPENTYLPYRIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE OR DISORDER NOVARTIS AG (CH) 2023-05-19 WO disclosed
US-20230025892-A1 CONDENSED BI-HETEROCYCLES AS INHIBITING AGENTS FOR BRUTON'S TYROSINE KINASE BIOGEN MA INC. 2023-01-26 US disclosed
US-20230025892-A1 CONDENSED BI-HETEROCYCLES AS INHIBITING AGENTS FOR BRUTON'S TYROSINE KINASE BIOGEN MA INC. 2023-01-26 US disclosed
EP-1507826-A2 AMELIORATION OF THE DEVELOPMENT OF CATARACTS AND OTHER OPTHALMIC DISEASES Othera Pharmaceuticals, Inc. (US) 2005-02-23 EP disclosed
US-20040002461-A1 Amelioration of the development of cataracts and other ophthalmic diseases COLBY PHARMACEUTICAL COMPANY 2004-01-01 US disclosed
WO-2003096991-A2 AMELIORATION OF THE DEVELOPMENT OF CATARACTS AND OTHER OPTHALMIC DISEASES OTHERA PHARMACEUTICALS, INC. (US) 2003-11-27 WO disclosed
US-5349046-A Polymerization of β-lactones under rim conditions SHELL OIL COMPANY (US) 1994-09-20 US disclosed
EP-0211416-B1 NOVEL HMG-COA REDUCTASE INHIBITORS MERCK & CO. INC. (US) 1991-10-16 EP disclosed
US-4851436-A ANTICHOLESTEROL AND ANTILIPEMIC AGENTS MERCK & CO., INC. (US) 1989-07-25 US disclosed
US-4668699-A 6-(NAPHTHYLETHYL)TETRAHYDROPYRAN-2-ONES; ANTILIPEMIC, ANTICHOLESTEROL MERCK & CO., INC. (US) 1987-05-26 US disclosed
US-4665091-A 3-HYDROXY-3-METHYLGLUTARYL-COENZYME A, ANTICHOLESTEROL MERCK & CO., INC. (US) 1987-05-12 US disclosed
EP-0211416-A2 Novel HMG-CoA reductase inhibitors MERCK & CO. INC. (US) 1987-02-25 EP disclosed
US-4405357-A Herbicidal 3-isoxazolidinones and hydroxamic acids FMC CORPORATION (US) 1983-09-20 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 (6 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-20240158415-A1 AMINOPYRIDINE DERIVATIVES AS PHOSPHATIDYLINOSITOL PHOSPHATE KINASE INHIBITORS PIP5K1B, PIP5K1A, PIP5K1C ALDH1A1 4193/4885LMNA 4267/4885HSD17B10 3939/4885
US-20230025892-A1 CONDENSED BI-HETEROCYCLES AS INHIBITING AGENTS FOR BRUTON'S TYROSINE KINASE ABL1, CDK1, CDK2 ALDH1A1 2619/4885LMNA 1417/4885HSD17B10 3067/4885
US-11667651-B2 Aminopyridine derivatives as phosphatidylinositol phosphate kinase inhibitors PIP5K1B, PIP5K1A, PIP5K1C ALDH1A1 4132/4885LMNA 4121/4885HSD17B10 3968/4885
US-20250243177-A1 sGC STIMULATORS GUCY1A1, PTGIS, GUCY1B1 ALDH1A1 1325/4885LMNA 3689/4885HSD17B10 660/4885
US-12391697-B2 Condensed bi-heterocycles as inhibiting agents for Bruton's tyrosine kinase ABL1, CDK1, CDK2 ALDH1A1 2619/4885LMNA 1417/4885HSD17B10 3067/4885
US-20040002461-A1 Amelioration of the development of cataracts and other ophthalmic diseases PDE6D, PDE6H, CCR1 ALDH1A1 310/4885LMNA 1234/4885HSD17B10 294/4885

“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.