SCHEMBL7601534

SCHEMBL7601534

CCCC=C(OC(C)=O)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.38
GRIK2 Q13002 1/20 0.38
ALDH1A1 P00352 5/20 0.36
TSHR P16473 1/20 0.36
EP300 Q09472 1/20 0.35
HSD17B10 Q99714 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
LMNA P02545 1/20 0.31
FFAR3 O14843 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
SCHEMBL11650762 1.00 GRIK1 (0.38) GRIK1GRIK2ALDH1A1TSHREP300
SCHEMBL7601525 1.00 GRIK1 (0.38) GRIK1GRIK2ALDH1A1TSHREP300
SCHEMBL1486764 0.89 GRIK1 (0.41) GRIK1GRIK2ALDH1A1EP300FFAR3
SCHEMBL11600641 0.86 EP300 (0.53) EP300HSD17B10TDP1LMNA
SCHEMBL11600639 0.86 EP300 (0.53) EP300HSD17B10TDP1LMNA
SCHEMBL11599523 0.85 EP300 (0.56) EP300HSD17B10TDP1LMNA
SCHEMBL11599339 0.85 EP300 (0.56) EP300HSD17B10TDP1LMNA
SCHEMBL11599343 0.85 EP300 (0.56) EP300HSD17B10TDP1LMNA
SCHEMBL11600354 0.85 EP300 (0.56) EP300HSD17B10TDP1LMNA
SCHEMBL11599526 0.85 EP300 (0.56) EP300HSD17B10TDP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4736063-A OXIDATION OF ACETIC ACID AND BUTADIENE TO FORM ACETOXYHEXENOIC ACIDS; PURIFICATION AND ACID CATALYST CONVERSION MONSANTO COMPANY (US) 1988-04-05 US claimed
US-4564689-A G-VINYL-G-BUTYROLACTONE FROM BUTADIENE AND ACETIC ACID, MANGANESE SALTS MONSANTO COMPANY (US) 1986-01-14 US claimed
US-4560775-A REACTING BUTADIENE AND ACETIC ACID WITH A METAL SALT OXIDANT MONSANTO COMPANY (US) 1985-12-24 US claimed
EP-0060365-B1 PROCESS FOR PRODUCING GAMMA-VINYL-GAMMA BUTYROLACTONE MONSANTO COMPANY (US) 1985-08-07 EP claimed
US-4526990-A Reacting butadiene and acetic acid in the presence of metal ion oxidants MONSANTO COMPANY (US) 1985-07-02 US claimed
EP-0055934-B1 ACYLOXY ALKENOIC ACIDS AND PROCESS THEREFOR MONSANTO COMPANY (US) 1985-03-13 EP claimed
EP-0055936-B1 SORBIC ACID PROCESS MONSANTO COMPANY (US) 1984-09-05 EP claimed
US-4460787-A COPPER OR SILVER COMPOUNDS MONSANTO COMPANY (US) 1984-07-17 US claimed
EP-0083914-A1 Metal and acid catalysis in sorbic acid preparation MONSANTO COMPANY (US) 1983-07-20 EP claimed
US-4380650-A Lactone process MONSANTO COMPANY (US) 1983-04-19 US claimed
US-4356317-A REACTION OF BUTADIENE AND ACETIC ACID WITH METAL SALT OXIDANTS MONSANTO COMPANY (US) 1982-10-26 US claimed
EP-0060365-A2 Process for producing gamma-vinyl-gamma butyrolactone MONSANTO COMPANY (US) 1982-09-22 EP claimed
EP-0055934-A2 Acyloxy alkenoic acids and process therefor MONSANTO COMPANY (US) 1982-07-14 EP claimed
EP-0055935-A2 Method for inhibiting growth of pathogens and spoilage organisms in foods and feeds; food and feed compositions containing a micro-organism inhibitor MONSANTO COMPANY (US) 1982-07-14 EP claimed
EP-0055936-A1 Sorbic acid process MONSANTO COMPANY (US) 1982-07-14 EP claimed
US-20130045951-A1 Novel Nitroso Compounds as Nitroxyl Donors and Methods of Use Thereof CARDIOXYL PHARMACEUTICALS, INC. (US) 2013-02-21 US disclosed
EP-1264818-A1 A method for treating an effluent containing sorbic acid and/or a salt thereof and an effluent disposal device Daicel Chemical Industries, Ltd. (JP) 2002-12-11 EP disclosed
EP-0055935-A2 Method for inhibiting growth of pathogens and spoilage organisms in foods and feeds; food and feed compositions containing a micro-organism inhibitor MONSANTO COMPANY (US) 1982-07-14 EP disclosed
EP-0055934-A2 Acyloxy alkenoic acids and process therefor MONSANTO COMPANY (US) 1982-07-14 EP disclosed
EP-0055936-A1 Sorbic acid process MONSANTO COMPANY (US) 1982-07-14 EP 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 (1 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-20130045951-A1 Novel Nitroso Compounds as Nitroxyl Donors and Methods of Use Thereof NOXO1, TNNI3, HAO2 GRIK1 2765/4885GRIK2 3227/4885ALDH1A1 624/4885

“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.