SCHEMBL626065

SCHEMBL626065

CC(NCC(=O)O)C(CC(=O)O)(CC(=O)O)NCC(=O)O

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
PTGS2 P35354 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HMGCR P04035 1/20 0.33
CHRM1 P11229 1/20 0.33
TBXA2R P21731 1/20 0.33
ADRA1A P35348 1/20 0.33
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32
ECE1 P42892 1/20 0.32
MME P08473 1/20 0.31
ACE P12821 1/20 0.31
CPA1 P15085 1/20 0.31
ACE2 Q9BYF1 1/20 0.31

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
SCHEMBL10522186 0.78 CPT2 (0.32) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL4004997 0.74 ALDH1A1 (0.33) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL14930536 0.74 LMNA (0.40) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL7192022 0.74 LMNA (0.40) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL16705114 0.74 LMNA (0.40) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL2506119 0.73 ALDH1A1 (0.33) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL902068 0.71 CPT2 (0.33) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL2011555 0.71 MME (0.33) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL284822 0.68 TDP1 (0.34) LMNATDP1
SCHEMBL161143 0.68

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 93 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2603613-A1 METHOD AND COMPOSITION FOR REDUCING THE COLOR OF SUGAR RDM Empreendimentos e Participaçöes S.A. (BR) 2013-06-19 EP claimed
WO-2012019266-A1 METHOD AND COMPOSITION FOR REDUCING THE COLOR OF SUGAR FILHO JOSE RAIMUNDO (BR) 2012-02-16 WO claimed
US-7384902-B2 Metal brightener and surface cleaner CLEANING SYSTEMS, INC. (US) 2008-06-10 US claimed
US-20050256025-A1 Metal brightener and surface cleaner CLEANING SYSTEMS, INC. (US) 2005-11-17 US claimed
US-20040052826-A1 Cosmetic and pharmaceutical compositions and their use FERNANDEZ-KLEINLEIN ELENA (DE) 2004-03-18 US claimed
EP-1335700-A1 COSMETIC AND PHARMACEUTICAL COMPOSITION COMPRISING CHELATING/SEQUESTERING AGENTS AND THEIR COSMETIC OR DERMATOLOGICAL USE JOHNSON & JOHNSON GmbH (DE) 2003-08-20 EP claimed
WO-2003059922-A1 CONCENTRATED AQUEOUS IRON CHELATE COMPOSITION AKZO NOBEL N.V. (NL) 2003-07-24 WO claimed
WO-2002019981-A2 COSMETIC AND PHARMACEUTICAL COMPOSITION COMPRISING CHELATING/SEQUESTERING AGENTS AND THEIR COSMETIC AND DERMATOLOGICAL USE JOHNSON & JOHNSON GMBH (DE) 2002-03-14 WO claimed
US-4188303-A Polymeric electrical insulators having increased resistance to partial discharges containing metal chelates AGENCE NATIONALE DE VALORISATION DE LA RECHERCHE (ANVAR) (FR) 1980-02-12 US claimed
US-9587285-B2 Method and composition for reducing the color of sugar RAIMUNDO FILHO JOSÉ (BR) 2017-03-07 US disclosed
EP-2603613-B1 METHOD AND COMPOSITION FOR REDUCING THE COLOR OF SUGAR RDM EMPREENDIMENTOS E PARTICIPAÇÖES S A (BR) 2015-04-08 EP disclosed
US-20130239953-A1 METHOD AND COMPOSITION FOR REDUCING THE COLOR OF SUGAR RAIMUNDO FILHO JOSE (BR) 2013-09-19 US disclosed
EP-2603613-A1 METHOD AND COMPOSITION FOR REDUCING THE COLOR OF SUGAR RDM Empreendimentos e Participaçöes S.A. (BR) 2013-06-19 EP disclosed
WO-2012019266-A1 METHOD AND COMPOSITION FOR REDUCING THE COLOR OF SUGAR FILHO JOSE RAIMUNDO (BR) 2012-02-16 WO disclosed
US-4939077-A Photographic recording material containing polyester compounds having free acid groups AGFA-GEVAERT AKTIENGESELLSCHAFT (DE) 1990-07-03 US disclosed
US-4923785-A AMMONIUM IRON COMPLEX SALT; COLOR PHOTOGRAPHY; STORAGE STABILITY; ONE-PART AGFA GEVAERT AG (DE) 1990-05-08 US disclosed
EP-0046644-B1 IMPROVED CHROME UTILIZATION IN CHROME TANNING ROHM AND HAAS COMPANY (US) 1985-02-13 EP disclosed
US-4327997-A AMINE PROMOTER ROHM AND HAAS COMPANY (US) 1982-05-04 US disclosed
EP-0046644-A2 Improved chrome utilization in chrome tanning ROHM AND HAAS COMPANY (US) 1982-03-03 EP disclosed
US-4188303-A Polymeric electrical insulators having increased resistance to partial discharges containing metal chelates AGENCE NATIONALE DE VALORISATION DE LA RECHERCHE (ANVAR) (FR) 1980-02-12 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 (1 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-20040052826-A1 Cosmetic and pharmaceutical compositions and their use CUTA, TYR, DSG1 ALDH1A1 2560/4885LMNA 3454/4885MAPT 1731/4885

“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.