SCHEMBL107765

SCHEMBL107765

CCCC(C(=O)[O-])C(=O)[O-].[Na+].[Na+]

nearest known ligand 0.64

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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
CA1 known ✓ P00915 4/20 0.48
CA2 known ✓ P00918 3/20 0.48
NFKB1 P19838 3/20 0.64
CYP3A4 P08684 2/20 0.64
TSHR P16473 2/20 0.64
NPSR1 Q6W5P4 2/20 0.64
HDAC1 Q13547 3/20 0.43
HDAC2 Q92769 3/20 0.43
HDAC8 Q9BY41 3/20 0.43
FFAR3 O14843 2/20 0.43
HDAC3 O15379 2/20 0.43
CHRM1 P11229 1/20 0.42
AKR1A1 P14550 1/20 0.42
CHRM3 P20309 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
ADRA1A P35348 1/20 0.42
HRH1 P35367 1/20 0.42
DRD3 P35462 1/20 0.42
SLC6A3 Q01959 1/20 0.42

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
Potassium Ion SCHEMBL21269330 0.97 NFKB1 (0.61) NFKB1CYP3A4TSHRNPSR1CA1
Lithium Ion SCHEMBL21269516 0.97 NFKB1 (0.61) NFKB1CYP3A4TSHRNPSR1CA1
SCHEMBL108842 0.97 NFKB1 (0.61) NFKB1CYP3A4TSHRNPSR1CA1
SCHEMBL21269935 0.94 CYP3A4 (0.59) NFKB1CYP3A4TSHRNPSR1CA1
SCHEMBL21268941 0.94 CYP3A4 (0.59) NFKB1CYP3A4TSHRNPSR1CA1
Potassium Ion SCHEMBL107448 0.94 CYP3A4 (0.59) NFKB1CYP3A4TSHRNPSR1CA1
Silver SCHEMBL21295008 0.94 CYP3A4 (0.59) NFKB1CYP3A4TSHRNPSR1CA1
SCHEMBL6995403 0.94 CYP3A4 (0.59) NFKB1CYP3A4TSHRNPSR1CA1
Lithium Ion SCHEMBL108551 0.94 CYP3A4 (0.59) NFKB1CYP3A4TSHRNPSR1CA1
Potassium Ion SCHEMBL21269332 0.92 CYP3A4 (0.56) NFKB1CYP3A4TSHRNPSR1CA1

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 47 patents — showing the first 20. 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
EP-2426558-B1 Silicon-containing film-forming composition, silicon-containing film-formed substrate, and patterning process SHINETSU CHEMICAL CO (JP) 2018-10-24 EP disclosed
EP-2500775-B1 PATTERNING PROCESS AND COMPOSITION FOR FORMING SILICON-CONTAINING FILM USABLE THEREFOR SHINETSU CHEMICAL CO (JP) 2018-01-03 EP disclosed
US-8951711-B2 Patterning process and composition for forming silicon-containing film usable therefor SHIN-ETSU CHEMICAL CO., LTD. (JP) 2015-02-10 US disclosed
US-20140342289-A1 PATTERNING PROCESS AND COMPOSITION FOR FORMING SILICON-CONTAINING FILM USABLE THEREFOR SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-11-20 US disclosed
US-20090011372-A1 SILICON-CONTAINING FILM-FORMING COMPOSITION, SILICON-CONTAINING FILM, SILICON-CONTAINING FILM-BEARING SUBSTRATE, AND PATTERNING METHOD SHIN-ETSU CHEMICAL CO., LTD. (JP) 2009-01-08 US disclosed
EP-2011830-A1 Silicon-containing film-forming composition, silicon-containing film, silicon-containing film-bearing substrate, and patterning method Shin-Etsu Chemical Co., Ltd. (JP) 2009-01-07 EP disclosed
EP-2011829-A1 Silicon-containing film-forming composition, silicon-containing film, silicon-containing film-bearing substrate, and patterning method Shin-Etsu Chemical Co., Ltd. (JP) 2009-01-07 EP disclosed
EP-1867681-B1 Silicon-containing film-forming composition, silicon-containing film, silicon-containing film-bearing substrate, and patterning method SHINETSU CHEMICAL CO (JP) 2008-12-31 EP disclosed
US-20080274432-A1 SILICONE-CONTAINING FILM-FORMING COMPOSITION, SILICON-CONTAINING FILM, SILICON-CONTAINING FILM-BEARING SUBSTRATE, AND PATTERNING METHOD SHIN-ETSU CHEMICAL CO., LTD. (JP) 2008-11-06 US disclosed
US-20080026322-A1 Hydrolytic condensation of organosilicon compound using acid and basic catalyst with Group 1a hydroxide, organic acid and solvent; efficiency patterning photoresist film SHIN-ETSU CHEMICAL CO., LTD. 2008-01-31 US disclosed
EP-1867681-A1 Silicon-containing film-forming composition, silicon-containing film, silicon-containing film-bearing substrate, and patterning method Shin-Etsu Chemical Co., Ltd. (JP) 2007-12-19 EP disclosed
EP-1845132-A2 Silicon-containing film-forming composition, silicon-containing film, silicon-containing film-bearing substrate, and patterning method Shinetsu Chemical Co., Ltd. (JP) 2007-10-17 EP disclosed
US-20070238300-A1 Silicon-containing film-forming composition, silicon-containing film, silicon-containing film-bearing substrate, and patterning method SHIN-ETSU CHEMICAL CO., LTD. 2007-10-11 US 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 CA1 489/4885CA2 478/4885NFKB1 275/4885
US-11180630-B2 Metal salts of malonic acid as nucleating additives for crystalline thermoplastics NUMA1, MNS1, ME1 CA1 489/4885CA2 478/4885NFKB1 275/4885

“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.