SCHEMBL138841

SCHEMBL138841

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

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.61
MGAM O43451 1/20 0.61
SI P14410 1/20 0.61
MGAM2 Q2M2H8 1/20 0.61
ALDH1A1 P00352 4/20 0.44
TRPA1 O75762 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.39
CYP1A2 P05177 1/20 0.39
LMNA P02545 2/20 0.39
HSD17B10 Q99714 1/20 0.39
ALOX15 P16050 2/20 0.37
SOAT1 P35610 1/20 0.37
KMT2A Q03164 3/20 0.37
POLB P06746 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL5212003 0.84 GAA (0.58) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL10575074 0.84 MGAM (0.44) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL113191 0.83 GAA (0.56) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL8627208 0.81 TSHR (0.46) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL29185376 0.79 GAA (0.52) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL182126 0.79 GAA (0.64) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL28519835 0.79 GAA (0.64) GAAMGAMSIMGAM2ALDH1A1
Malonic Acid Diethyl Ester SCHEMBL28023329 0.79 GAA (0.71) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL4418314 0.77 GAA (0.61) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL18890 0.77 GAA (0.61) GAAMGAMSIMGAM2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-56034664-A None JP disclosed
US-12370192-B2 Azole-fused pyridazin-3(2H)-one derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2025-07-29 US disclosed
EP-4472739-A1 IMIDAZOLE MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2024-12-11 EP disclosed
EP-4031552-B1 AZOLE-FUSED PYRIDAZIN-3(2H)-ONE DERIVATIVES TAKEDA PHARMACEUTICALS CO (JP) 2024-11-06 EP disclosed
US-20240245699-A1 PYRROLE COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SERVIER LAB (FR) 2024-07-25 US disclosed
US-20240217968-A1 PHARMACEUTICAL COMPOUND Duke Street Bio Limited (GB) 2024-07-04 US disclosed
WO-2024059186-A1 N-((ISOQUINOLIN-6-YL)METHYL)-1H-PYRAZOLE-4-CARBOXAMID DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS FOR THE TREATMENT OF HEREDITARY ANGIOEDEMA TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-03-21 WO disclosed
EP-4313300-A1 PHARMACEUTICAL COMPOUND Duke Street Bio Limited (GB) 2024-02-07 EP disclosed
CN-117460723-A Pharmaceutical compounds 杜克街生物有限公司 2024-01-26 CN disclosed
WO-2023148129-A1 IMIDAZOLE MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2023-08-10 WO disclosed
EP-0024464-B1 2-OXOPROPIONALDEHYDE BIS(THIOSEMICARBAZONE)DERIVATIVES AND THEIR PRODUCTION AND USE NIHON MEDI-PHYSICS CO., LTD. (JP) 1982-05-12 EP disclosed
US-4287362-A AS CHELATING AGENTS IN COMBINATION WITH PROTEINS AND A RADIOACTIVE ISOTOPE OF TECHNETIUM FOR DIAGNOSIS NIHON MEDI-PHYSICS CO., LTD. (JP) 1981-09-01 US disclosed
US-4284634-A HYPOTENSIVE VASODILATORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-08-18 US disclosed
EP-0028833-A2 Imidazole derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1981-05-20 EP disclosed
US-4260551-A ALIPHATIC OR AROMATIC ESTERS, ANTIULCER AGENTS SANKYO COMPANY LIMITED (JP) 1981-04-07 US disclosed
JP-S5634664-A NOVEL COMPOUND HAVING CHELATE FORMING GROUP AND CARBOXYLIC ACID IN MOLECULE NIPPON MEJIFUIJITSUKUSU KK 1981-04-06 JP disclosed
EP-0024464-A1 2-Oxopropionaldehyde bis(thiosemicarbazone)derivatives and their production and use NIHON MEDI-PHYSICS CO., LTD. (JP) 1981-03-11 EP disclosed
US-4192953-A TREATMENT OF PEPTIC ULCERS SANKYO COMPANY LIMITED (JP) 1980-03-11 US disclosed
US-4145432-A 6-ACYLORYALKYL-1,4-DIHYDROPYRIDINE DERIVATIVES AND A METHOD OF EFFECTING VASODILATION THEREWITH FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1979-03-20 US disclosed
US-4059641-A ANTIULCER SANKYO COMPANY LIMITED (JA) 1977-11-22 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-20240217968-A1 PHARMACEUTICAL COMPOUND F11, F12, ZYX GAA 1834/4885MGAM 3823/4885SI 1128/4885
US-12370192-B2 Azole-fused pyridazin-3(2H)-one derivatives GPR139, GPR119, GPR39 GAA 1693/4885MGAM 3707/4885SI 3007/4885
US-20240245699-A1 PYRROLE COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PDCD11, RRM2B, RRM2 GAA 3506/4885MGAM 4083/4885SI 2516/4885

“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.