SCHEMBL21269337

SCHEMBL21269337

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.54
▸ CA2 P00918 1/20 0.46
▸ CA4 P22748 1/20 0.46
▸ CYP2D6 P10635 1/20 0.45
▸ MAPT P10636 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ ALDH1A1 P00352 4/20 0.43
▸ TSHR P16473 4/20 0.43
▸ KCNN4 O15554 2/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ KEAP1 Q14145 1/20 0.42
▸ NFE2L2 Q16236 1/20 0.42
▸ HDAC3 O15379 1/20 0.41
▸ HDAC4 P56524 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC7 Q8WUI4 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC10 Q969S8 1/20 0.41

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
SCHEMBL226184 0.97 CYP1A2 (0.56) CYP1A2CA2CA4CYP2D6MAPT
SCHEMBL21269593 0.94 CYP1A2 (0.54) CYP1A2CA2CA4CYP2D6MAPT
SCHEMBL21269074 0.94 CYP1A2 (0.54) CYP1A2CA2CA4CYP2D6MAPT
Nitrous Acid SCHEMBL7049171 0.87 CYP1A2 (0.48) CYP1A2CA2CA4CYP2D6MAPT
SCHEMBL11789353 0.84 CYP1A2 (0.45) CYP1A2CA2CA4CYP2D6MAPT
SCHEMBL6705784 0.82 CYP1A2 (0.48) CYP1A2CA2CA4CYP2D6MAPT
SCHEMBL8464379 0.80 CES1 (0.52) CYP1A2CA2CA4CYP2D6MAPT
SCHEMBL21269380 0.79 CA2 (0.48) CYP1A2CA2CA4CYP2D6MAPT
SCHEMBL21269591 0.79 CA4 (0.54) CYP1A2CA2CA4CYP2D6MAPT
SCHEMBL21269655 0.79 CA2 (0.48) CYP1A2CA2CA4CYP2D6MAPT

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 CYP1A2 3601/4885CA2 478/4885CA4 1318/4885
US-11180630-B2 Metal salts of malonic acid as nucleating additives for crystalline thermoplastics NUMA1, MNS1, ME1 CYP1A2 3601/4885CA2 478/4885CA4 1318/4885

“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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