Pentetic Acid

Pentetic Acid

SCHEMBL4165156

CC(C)(O)CON1C(C)(C)CC(=O)CC1(C)C.CC(C)(O)CON1C(C)(C)CC(=O)CC1(C)C.O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O.O=C([O-])CN(CCN(CCN(CC(=O)[O-])CC(=O)O)CC(=O)O)CC(=O)[O-].[K+].[K+].[K+]

nearest known ligand 0.34

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Known targets — ChEMBL curated mechanism

AGTR1DHFRGABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTNR3C2PBP2XPTGS1PTGS2VKORC1blablaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAftsImrcAmrcBmrdApbp1apbp1bpbp2apbp2bpbp3polthyA

The experimentally established mechanism targets of Pentetic Acid. 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 P00915 4/20 0.34
CA2 P00918 4/20 0.34
CA4 P22748 4/20 0.34
KDM4E B2RXH2 2/20 0.33
ALOX15 P16050 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
LMNA P02545 1/20 0.33
CHRM2 P08172 1/20 0.33
ADRA2A P08913 1/20 0.33
TSHR P16473 1/20 0.33
DRD1 P21728 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
CYP2C19 P33261 1/20 0.33
ADRA1A P35348 1/20 0.33
DRD3 P35462 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33

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
Pentetic Acid SCHEMBL3795685 1.00 CA1 (0.34) CA1CA2CA4KDM4EALOX15
Pentetic Acid SCHEMBL3799811 0.93 TDP1 (0.38) KDM4EALOX15TDP1LMNACHRM2
Nitrilotriacetic Acid SCHEMBL4160931 0.92 MEN1 (0.34) MEN1KMT2AGAA
Edetic Acid SCHEMBL3794253 0.92 TDP1 (0.36) KDM4EALOX15TDP1LMNACHRM2
Edetic Acid SCHEMBL4158247 0.92 TDP1 (0.36) KDM4EALOX15TDP1LMNACHRM2
Nitrilotriacetic Acid SCHEMBL3801359 0.87 MEN1 (0.35) MEN1KMT2AGAA
Edetic Acid SCHEMBL4169915 0.83 KDM4E (0.31) KDM4EALOX15TDP1MAPTSMN1; SMN2
Pentetic Acid SCHEMBL4158513 0.79 KDM4E (0.31) KDM4EALOX15MAPTSMN1; SMN2
Pentetic Acid SCHEMBL4709760 0.79 KDM4E (0.31) KDM4EALOX15MAPTSMN1; SMN2
SCHEMBL40239 0.78 MEN1 (0.39) MEN1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060264345-A1 Stabilized body care products, household products, textiles and fabrics BASF SE (DE) 2006-11-23 US claimed
EP-2207522-B1 PERSONAL CARE AND HOUSEHOLD PRODUCT COMPOSITIONS COMPRISING SPECIFIC SULFUR CONTAINING STABILISER COMPOUNDS BASF SE (DE) 2019-11-06 EP disclosed
US-8216596-B2 4-Hydroxy-1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidine, citric acid and a body care product; hindered amine salt compounds provide outstanding protection against light-induced fading BASF SE (DE) 2012-07-10 US disclosed
US-20090092561-A1 Body-care and household products and compositions comprising specific sulfur-containing compounds BASF SE (DE) 2009-04-09 US disclosed
US-20060264345-A1 Stabilized body care products, household products, textiles and fabrics BASF SE (DE) 2006-11-23 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-20060264345-A1 Stabilized body care products, household products, textiles and fabrics DSC1, CUTA, DSG1 CA1 3166/4885CA2 3470/4885CA4 1916/4885
US-20090092561-A1 Body-care and household products and compositions comprising specific sulfur-containing compounds DSC1, SCLY, DSG1 CA1 2913/4885CA2 3759/4885CA4 2527/4885

“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.