SCHEMBL3967264

SCHEMBL3967264

OCC(O)CN(CCN(CC(O)CO)CC(O)CO)CCN(CC(O)CO)CC(O)CO

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
ALDH1A1 P00352 2/20 0.44
THRB P10828 1/20 0.36
KDM4E B2RXH2 2/20 0.35
TSHR P16473 1/20 0.32
PNP P00491 2/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL32670321 1.00 LMNA (0.44) LMNAALDH1A1THRBKDM4ETSHR
SCHEMBL4248406 1.00 LMNA (0.44) LMNAALDH1A1THRBKDM4ETSHR
SCHEMBL2364466 0.97 LMNA (0.47) LMNAALDH1A1THRBKDM4EPNP
SCHEMBL32670448 0.92 KDM4E (0.44) LMNAALDH1A1THRBKDM4ETSHR
SCHEMBL14441406 0.88 ALDH1A1 (0.37) LMNAALDH1A1KDM4EMEN1KMT2A
SCHEMBL18562075 0.88 MAPT (0.36) LMNAALDH1A1KDM4EMAPT
SCHEMBL32670353 0.88 THRB (0.40) LMNAALDH1A1THRBKDM4E
SCHEMBL6730640 0.87 LMNA (0.38) LMNAALDH1A1THRBKDM4E
SCHEMBL4844804 0.86 LMNA (0.42) LMNAALDH1A1THRBKDM4E
SCHEMBL3279037 0.86 KDM4E (0.47) LMNAALDH1A1THRBKDM4ETSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260038861-A1 ANOLYTES COMPRISING ALKANOLAMINE-BASED LIGANDS FOR REDOX FLOW BATTERY SYSTEMS BATTELLE MEMORIAL INSTITUTE (US) 2026-02-05 US disclosed
US-20140235776-A1 AMINOALCOHOL COMPOUNDS AND THEIR USE AS ZERO OR LOW VOC ADDITIVES FOR PAINTS AND COATINGS ANGUS CHEMICAL COMPANY (US) 2014-08-21 US disclosed
US-20140235776-A1 AMINOALCOHOL COMPOUNDS AND THEIR USE AS ZERO OR LOW VOC ADDITIVES FOR PAINTS AND COATINGS ANGUS CHEMICAL COMPANY (US) 2014-08-21 US disclosed
WO-2013016269-A1 AMINOALCOHOL COMPOUNDS AND THEIR USE AS ZERO OR LOW VOC ADDITIVES FOR PAINTS AND COATINGS ANGUS CHEMICAL COMPANY (US) 2013-01-31 WO disclosed
WO-2013016269-A1 AMINOALCOHOL COMPOUNDS AND THEIR USE AS ZERO OR LOW VOC ADDITIVES FOR PAINTS AND COATINGS ANGUS CHEMICAL COMPANY (US) 2013-01-31 WO disclosed
EP-2011501-A1 Compounds with chelation affinity and selectivity for first transition series elements and their use Chelator LLC (US) 2009-01-07 EP disclosed
EP-1261349-B1 COMPOUNDS WITH CHELATION AFFINITY AND SELECTIVITY FOR FIRST TRANSITION SERIES ELEMENTS AND THEIR USE CHELATOR LLC (US) 2008-09-03 EP disclosed
US-6881732-B2 Neuroprotection and cardioprotection afforded by chelators with high affinity and specificity for cations of first transition series elements CHELATOR LLC (US) 2005-04-19 US disclosed
EP-1382332-A1 Method for inhibiting bacterial or fungal growth using a polyamine derivative as complexing agent Chelator LLC (US) 2004-01-21 EP disclosed
US-20040006055-A1 Neuroprotection and cardioprotection afforded by chelators with high affinity and specificity for cations of first transition series elements CONCAT, LTD. A CALIFORNIA LIMITED PARTNERSHIP (US) 2004-01-08 US disclosed
US-6583182-B1 Atomic numbers 21-30 are components of enzymes required for nucleic acid replication; substituted polyaza compounds inhibit cell replication by decreaseing bioavailability of iron or copper CHELATOR LLC 2003-06-24 US disclosed
US-6387891-B2 COMPOUNDS WITH CHELATION AFFINITY AND SELECTIVITY FOR FIRST TRANSITION SERIES ELEMENTS AND THEIR USE IN COSMETICS AND PERSONAL CARE PRODUCTS, INHIBITION OF METALLOENZYMES, AND INHIBITION OF REPERFUSION INJURY CONCAT, LTD. 2002-05-14 US disclosed
US-20010041170-A1 Compounds with chelation affinity and selectivity for first transition series elements and their use in cosmetics and personal care products, inhibition of metalloenzymes, and inhibition of reperfusion injury CHELATOR LLC 2001-11-15 US disclosed
US-6264966-B1 DEODORANTS; THERAPY FOR ORAL DISEASES CONCAT, LTD. 2001-07-24 US disclosed
US-6165996-A Compounds with chelation affinity selectivity for first transition series elements: use in medical therapy and diagnosis CONCAT, INC. (US) 2000-12-26 US disclosed
EP-0955044-A2 Method of inhibiting bacterial or fungal growth using a complexing agent CONCAT LTD. (US) 1999-11-10 EP disclosed
US-5874573-A Compounds with chelation affinity and selectivity for first transition series elements: use in medical therapy CONCAT, INC. (US) 1999-02-23 US disclosed
EP-0841951-A2 COMPOUNDS WITH CHELATION AFFINITY AND SELECTIVITY FOR FIRST TRANSITION SERIES ELEMENTS, AND THEIR USE IN MEDICAL THERAPY AND DIAGNOSIS CONCAT LTD. (US) 1998-05-20 EP disclosed
WO-1997001360-A9 COMPOUNDS WITH CHELATION AFFINITY AND SELECTIVITY FOR FIRST TRANSITION SERIES ELEMENTS AND THEIR USE IN MEDICAL THERAPY AND DIAGNOSIS 1997-07-17 WO disclosed
WO-1997001360-A2 COMPOUNDS WITH CHELATION AFFINITY AND SELECTIVITY FOR FIRST TRANSITION SERIES ELEMENTS AND THEIR USE IN MEDICAL THERAPY AND DIAGNOSIS CONCAT, LTD. (US) 1997-01-16 WO 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 (3 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-20260038861-A1 ANOLYTES COMPRISING ALKANOLAMINE-BASED LIGANDS FOR REDOX FLOW BATTERY SYSTEMS HAO2, ANO2, HRH4 LMNA 4163/4885ALDH1A1 756/4885THRB 1579/4885
US-20010041170-A1 Compounds with chelation affinity and selectivity for first transition series elements and their use in cosmetics and personal care products, inhibition of metalloenzymes, and inhibition of reperfusion injury MPO, LPO, SOD1 LMNA 3170/4885ALDH1A1 267/4885THRB 2286/4885
US-20040006055-A1 Neuroprotection and cardioprotection afforded by chelators with high affinity and specificity for cations of first transition series elements SOD1, SLC39A11, SLC40A1 LMNA 2599/4885ALDH1A1 361/4885THRB 1519/4885

“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.