Butanedione

Butanedione

SCHEMBL52101

CC(=O)C(C)=O.O=C(O)C(O)C(O)C(=O)OC(=O)C(O)C(O)C(=O)O

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.50
THPO P40225 1/20 0.35
TP53 P04637 1/20 0.35
NFKB1 P19838 1/20 0.33
CYP2C19 P33261 1/20 0.33
ALDH1A1 P00352 1/20 0.30
PGD P52209 1/20 0.30
HTT P42858 1/20 0.30
CYP2C9 P11712 1/20 0.30
PDE4A P27815 1/20 0.30

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
Cadaverine Tartrate SCHEMBL8046839 1.00 TSHR (0.50) TSHRTHPOTP53NFKB1CYP2C19
SCHEMBL1397720 0.89 TSHR (0.62) TSHRTP53NFKB1CYP2C19ALDH1A1
SCHEMBL29232003 0.89 TSHR (0.62) TSHRTP53NFKB1CYP2C19ALDH1A1
SCHEMBL9862728 0.89 TSHR (0.62) TSHRTP53NFKB1CYP2C19ALDH1A1
SCHEMBL14742965 0.87 TSHR (0.59) TSHRTP53NFKB1CYP2C19PGD
SCHEMBL305067 0.85 TSHR (0.50) TSHRTP53NFKB1CYP2C19ALDH1A1
Cadaverine Tartrate SCHEMBL19692567 0.85 TSHR (0.50) TSHRTP53NFKB1CYP2C19ALDH1A1
SCHEMBL8683125 0.85 TSHR (0.50) TSHRTP53NFKB1CYP2C19ALDH1A1
SCHEMBL1580351 0.84 TSHR (0.56) TSHRTP53NFKB1CYP2C19PGD
SCHEMBL7992773 0.84 TSHR (0.56) TSHRTP53NFKB1CYP2C19PGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250161213-A1 OIL-IN-WATER EMULSION WITH AGAR AND DIACETYL TARTARIC ACID ESTERS OF MONO-AND DI-GLYCERIDES (DATEM) VITUX GROUP AS (NO) 2025-05-22 US claimed
CN-119486715-A Oil-in-water emulsion of diacetyl tartaric acid esters (DATEM) containing agar, mono-and diglycerides 维特斯集团 2025-02-18 CN claimed
EP-4486306-A1 OIL-IN-WATER EMULSION WITH AGAR AND DIACETYL TARTARIC ACID ESTERS OF MONO-AND DI-GLYCERIDES (DATEM) Vitux Group AS (NO) 2025-01-08 EP claimed
CN-118955285-A Preparation method of diacetyl tartaric acid mono-diglyceride 广州美晨科技实业有限公司 2024-11-15 CN claimed
CN-115385791-B Preparation method of diacetyl tartaric acid mono-diglyceride 常茂生物化学工程股份有限公司 2024-04-23 CN claimed
US-11840507-B2 Process for the preparation of phenyl ketones ARXADA AG (CH) 2023-12-12 US claimed
CN-117222615-A Process for the preparation of phenyl ketones 阿尔萨达股份公司 2023-12-12 CN claimed
WO-2023161658-A1 OIL-IN-WATER EMULSION WITH AGAR AND DIACETYL TARTARIC ACID ESTERS OF MONO-AND DI-GLYCERIDES (DATEM) VITUX GROUP AS (NO) 2023-08-31 WO claimed
US-20230242469-A1 Process for the Preparation of Phenyl Ketones ARXADA AG (CH) 2023-08-03 US claimed
EP-4200271-A1 PROCESS FOR THE PREPARATION OF PHENYL KETONES Arxada AG (CH) 2023-06-28 EP claimed
US-7094812-B2 Colorant compositions XEROX CORPORATIONS (US) 2006-08-22 US claimed
US-7034185-B2 Colorant precursor compositions XEROX CORPORATION (US) 2006-04-25 US claimed
US-20050272902-A1 Colorant compositions XEROX CORPORATION 2005-12-08 US claimed
US-20040215002-A1 Colorant compositions XEROX CORPORATION 2004-10-28 US claimed
US-20040215038-A1 Colorant precursor compositions XEROX CORPORATION 2004-10-28 US claimed
US-20040214918-A1 Colorant compositions XEROX CORPORATION 2004-10-28 US claimed
US-20040215022-A1 Colorant compositions XEROX CORPORATION 2004-10-28 US claimed
US-6790267-B1 METHINE COLORANT COMPOUNDS FOR PHASE CHANGE INKS XEROX CORPORATION 2004-09-14 US claimed
US-6764541-B1 Colorant compositions XEROX CORPORATION 2004-07-20 US claimed
US-6113678-A Hot melt inks containing polyanhydrides XEROX CORPORATION (US) 2000-09-05 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20040215022-A1 Colorant compositions ARSA, TST, IK TSHR 1005/4885THPO 4410/4885TP53 1617/4885
US-20230242469-A1 Process for the Preparation of Phenyl Ketones PAH, PDK4, PKM TSHR 3714/4885THPO 1853/4885TP53 2907/4885
US-11840507-B2 Process for the preparation of phenyl ketones PAH, PDK4, PKM TSHR 3714/4885THPO 1853/4885TP53 2907/4885
US-20250161213-A1 OIL-IN-WATER EMULSION WITH AGAR AND DIACETYL TARTARIC ACID ESTERS OF MONO-AND DI-GLYCERIDES (DATEM) DAGLA, DAGLB, MGLL TSHR 4691/4885THPO 1838/4885TP53 895/4885
US-20040215038-A1 Colorant precursor compositions RB1, SULT1A1, CBR1 TSHR 2621/4885THPO 4549/4885TP53 801/4885

“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.