SCHEMBL21269544

SCHEMBL21269544

CCCCC(C)C(C)(C(=O)[O-])C(=O)[O-].[Ba+2]

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 9/20 0.47
CA1 P00915 7/20 0.44
MAPK1 P28482 1/20 0.41
NFKB1 P19838 2/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SLC1A3 P43003 1/20 0.35
SLC1A2 P43004 1/20 0.35
SLC1A1 P43005 1/20 0.35
CTSK P43235 1/20 0.35
CES2 O00748 1/20 0.34
CES1 P23141 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
Lithium Ion SCHEMBL21269957 0.96 CA2 (0.47) CA2CA1MAPK1NFKB1CYP3A4
SCHEMBL21269390 0.96 CA2 (0.47) CA2CA1MAPK1NFKB1CYP3A4
Potassium Ion SCHEMBL21269836 0.96 CA2 (0.47) CA2CA1MAPK1NFKB1CYP3A4
SCHEMBL21269504 0.96 CA2 (0.47) CA2CA1MAPK1NFKB1CYP3A4
SCHEMBL21268909 0.96 CA2 (0.52) CA2CA1MAPK1NFKB1CYP3A4
Potassium Ion SCHEMBL21269205 0.94 CA2 (0.50) CA2CA1MAPK1NFKB1CYP3A4
SCHEMBL21269004 0.94 CA1 (0.52) CA2CA1NFKB1SLC1A2SLC1A1
Potassium Ion SCHEMBL21269107 0.94 CA2 (0.46) CA2CA1MAPK1NFKB1CYP3A4
Lithium Ion SCHEMBL21269109 0.94 CA2 (0.50) CA2CA1MAPK1NFKB1CYP3A4
SCHEMBL21269868 0.92 CA2 (0.52) CA2CA1NFKB1CES2CES1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190256683-A1 METAL SALTS OF MALONIC ACID AS NUCLEATING ADDITIVES FOR CRYSTALLINE THERMOPLASTICS INDIAN OIL CORPORATION LIMITED (IN) 2019-08-22 US claimed
EP-3527616-A1 METAL SALTS OF MALONIC ACID AS NUCLEATING ADDITIVES FOR CRYSTALLINE THERMOPLASTICS INDIAN OIL CORPORATION Ltd. (IN) 2019-08-21 EP claimed
EP-3527616-B1 METAL SALTS OF MALONIC ACID AS NUCLEATING ADDITIVES FOR CRYSTALLINE THERMOPLASTICS INDIAN OIL CORP LTD (IN) 2024-02-07 EP disclosed
CN-110172019-B Metal salts of malonic acid as nucleating additives for crystalline thermoplastics 印度石油有限公司 2022-03-04 CN disclosed
US-11180630-B2 Metal salts of malonic acid as nucleating additives for crystalline thermoplastics INDIAN OIL CORPORATION LIMITED (IN) 2021-11-23 US disclosed
US-20190256683-A1 METAL SALTS OF MALONIC ACID AS NUCLEATING ADDITIVES FOR CRYSTALLINE THERMOPLASTICS INDIAN OIL CORPORATION LIMITED (IN) 2019-08-22 US disclosed
EP-3527616-A1 METAL SALTS OF MALONIC ACID AS NUCLEATING ADDITIVES FOR CRYSTALLINE THERMOPLASTICS INDIAN OIL CORPORATION Ltd. (IN) 2019-08-21 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 (2 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-20190256683-A1 METAL SALTS OF MALONIC ACID AS NUCLEATING ADDITIVES FOR CRYSTALLINE THERMOPLASTICS NUMA1, MNS1, ME1 CA2 478/4885CA1 489/4885MAPK1 464/4885
US-11180630-B2 Metal salts of malonic acid as nucleating additives for crystalline thermoplastics NUMA1, MNS1, ME1 CA2 478/4885CA1 489/4885MAPK1 464/4885

“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.