SCHEMBL21268894

SCHEMBL21268894

CCCC(C)CC(C(=O)O)C(=O)O.[KH]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 1/20 0.48
▸ AKR1A1 P14550 1/20 0.48
▸ CHRM3 P20309 1/20 0.48
▸ HTR2A P28223 1/20 0.48
▸ HTR2C P28335 1/20 0.48
▸ ADRA1A P35348 1/20 0.48
▸ HRH1 P35367 1/20 0.48
▸ DRD3 P35462 1/20 0.48
▸ SLC6A3 Q01959 1/20 0.48
▸ HDAC1 Q13547 1/20 0.48
▸ HDAC2 Q92769 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ TSHR P16473 2/20 0.44
▸ SLC1A3 P43003 2/20 0.42
▸ SLC1A2 P43004 2/20 0.42
▸ SLC1A1 P43005 2/20 0.42
▸ GRIK1 P39086 1/20 0.42
▸ GRIK2 Q13002 1/20 0.42
▸ ACE2 Q9BYF1 1/20 0.41
▸ CA2 P00918 1/20 0.37

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
SCHEMBL28315603 0.98 CHRM1 (0.46) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL2241772 0.98 CHRM1 (0.50) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL28314356 0.95 CHRM1 (0.48) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL28314810 0.95 CHRM1 (0.48) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL28315584 0.95 CHRM1 (0.48) CHRM1AKR1A1CHRM3HTR2AHTR2C
Magnesium SCHEMBL29456041 0.95 CHRM1 (0.48) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL21269066 0.95 CHRM1 (0.48) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL21268934 0.95 CHRM1 (0.48) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL1682343 0.89 ACE2 (0.50) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL27911653 0.86 CHRM1 (0.44) CHRM1AKR1A1CHRM3HTR2AHTR2C

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 9 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
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
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 CHRM1 4107/4885AKR1A1 1893/4885CHRM3 4547/4885
US-11180630-B2 Metal salts of malonic acid as nucleating additives for crystalline thermoplastics NUMA1, MNS1, ME1 CHRM1 4107/4885AKR1A1 1893/4885CHRM3 4547/4885

“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.

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