SCHEMBL21269779

SCHEMBL21269779

CC(Cc1ccccc1)(C(=O)[O-])C(=O)[O-].[Ca+2]

nearest known ligand 0.50

Known targets — ChEMBL curated mechanism

GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHMGCRMMP1MMP13MMP7MMP8PTGS1PTGS2ileSpolrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 known ✓ P22894 8/20 0.50
SMN1; SMN2 Q16637 1/20 0.47
HIF1A Q16665 1/20 0.47
SLC6A2 P23975 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
CYP3A4 P08684 2/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
LMNA P02545 1/20 0.44
CYP2D6 P10635 1/20 0.44
TRPA1 O75762 1/20 0.43
CYP1A2 P05177 1/20 0.42
RECQL P46063 1/20 0.42
ALPL P05186 1/20 0.42
POLB P06746 1/20 0.42
ALPG P10696 1/20 0.42
PPARG P37231 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
SCHEMBL21269499 0.96 MMP8 (0.50) MMP8SMN1; SMN2HIF1ASLC6A2TAAR1
SCHEMBL21269984 0.96 MMP8 (0.50) MMP8SMN1; SMN2HIF1ASLC6A2TAAR1
Potassium Ion SCHEMBL21269106 0.96 MMP8 (0.50) MMP8SMN1; SMN2HIF1ASLC6A2TAAR1
Lithium Ion SCHEMBL21269897 0.96 MMP8 (0.50) MMP8SMN1; SMN2HIF1ASLC6A2TAAR1
SCHEMBL21269751 0.96 MMP8 (0.50) MMP8SMN1; SMN2HIF1ASLC6A2TAAR1
Lithium Ion SCHEMBL21269990 0.94 MMP8 (0.49) MMP8SMN1; SMN2HIF1ASLC6A2TAAR1
Potassium Ion SCHEMBL21269804 0.94 MMP8 (0.49) MMP8SMN1; SMN2HIF1ASLC6A2TAAR1
Potassium Ion SCHEMBL21269052 0.94 MMP8 (0.49) MMP8SMN1; SMN2HIF1ASLC6A2TAAR1
SCHEMBL8710382 0.81 SMN1; SMN2 (0.57) MMP8SMN1; SMN2HIF1ASLC6A2TAAR1
SCHEMBL28727409 0.80 SMN1; SMN2 (0.47) MMP8SMN1; SMN2HIF1ASLC6A2TAAR1

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 MMP8 3877/4885SMN1; SMN2 901/4885HIF1A 2238/4885
US-11180630-B2 Metal salts of malonic acid as nucleating additives for crystalline thermoplastics NUMA1, MNS1, ME1 MMP8 3877/4885SMN1; SMN2 901/4885HIF1A 2238/4885

“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.