SCHEMBL21269947

SCHEMBL21269947

CCCCCC(C(=O)O)(C(=O)O)c1ccccc1.[LiH]

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.45
KIF11 P52732 1/20 0.42
CES2 O00748 3/20 0.42
CES1 P23141 3/20 0.42
SCN5A Q14524 3/20 0.41
SCN9A Q15858 3/20 0.41
NAAA Q02083 1/20 0.40
TSHR P16473 2/20 0.40
ALDH1A1 P00352 1/20 0.40
DRD2 P14416 1/20 0.39
OPRM1 P35372 1/20 0.39
DRD3 P35462 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.39
EGFR P00533 1/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL28314660 0.98 GAA (0.44) GAAKIF11CES2CES1SCN5A
SCHEMBL21269613 0.98 GAA (0.44) GAAKIF11CES2CES1SCN5A
SCHEMBL21269404 0.98 GAA (0.44) GAAKIF11CES2CES1SCN5A
SCHEMBL21269069 0.98 GAA (0.44) GAAKIF11CES2CES1SCN5A
SCHEMBL21269881 0.98 GAA (0.44) GAAKIF11CES2CES1SCN5A
SCHEMBL21268876 0.98 GAA (0.44) GAAKIF11CES2CES1SCN5A
SCHEMBL21269505 0.98 GAA (0.44) GAAKIF11CES2CES1SCN5A
SCHEMBL21269462 0.98 GAA (0.44) GAAKIF11CES2CES1SCN5A
SCHEMBL5511990 0.98 GAA (0.46) GAAKIF11CES2CES1SCN5A
SCHEMBL28315817 0.97 GAA (0.43) GAAKIF11CES2CES1SCN5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110172019-A The metal salt of malonic acid as the nucleating additive for crystalline thermoplastic 印度石油有限公司 2019-08-27 CN claimed
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
US-11180630-B2 Metal salts of malonic acid as nucleating additives for crystalline thermoplastics INDIAN OIL CORPORATION LIMITED (IN) 2021-11-23 US disclosed
CN-110172019-A The metal salt of malonic acid as the nucleating additive for crystalline thermoplastic 印度石油有限公司 2019-08-27 CN 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 GAA 65/4885KIF11 159/4885CES2 4618/4885
US-11180630-B2 Metal salts of malonic acid as nucleating additives for crystalline thermoplastics NUMA1, MNS1, ME1 GAA 65/4885KIF11 159/4885CES2 4618/4885

“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.