SCHEMBL1701028

SCHEMBL1701028

O=C(O)Cc1ccc(I)c(CC(=O)O)c1CC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 3/20 0.42
CYP1A2 P05177 3/20 0.40
TDP1 Q9NUW8 1/20 0.37
DUSP3 P51452 1/20 0.37
PTPN5 P54829 1/20 0.37
PTPN11 Q06124 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
SRC P12931 1/20 0.37
KDM4E B2RXH2 2/20 0.35
MAPT P10636 1/20 0.35
PTGS2 P35354 2/20 0.35
CAMK2A Q9UQM7 2/20 0.34
CA2 P00918 1/20 0.34
HSD17B10 Q99714 3/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 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
SCHEMBL289780 0.82 AKR1B1 (0.50) AKR1B1CYP1A2TDP1DUSP3PTPN5
Acetic Acid SCHEMBL5540371 0.77 AKR1B1 (0.46) AKR1B1CYP1A2TDP1DUSP3PTPN5
SCHEMBL28991119 0.77 AKR1B1 (0.43) AKR1B1CYP1A2TDP1DUSP3PTPN5
SCHEMBL28900013 0.73 MAPT (0.41) CYP1A2SRCKDM4EMAPTPTGS2
SCHEMBL1873283 0.73 AKR1B1 (0.60) AKR1B1CYP1A2TDP1DUSP3PTPN5
Benzene SCHEMBL1146112 0.73 AKR1B1 (0.60) AKR1B1CYP1A2TDP1DUSP3PTPN5
Iodobenzene SCHEMBL31189210 0.72 AKR1B1 (0.44) AKR1B1CYP1A2TDP1DUSP3PTPN5
SCHEMBL5543109 0.72 AKR1B1 (0.41) AKR1B1CYP1A2TDP1DUSP3PTPN5
SCHEMBL31042841 0.71 HSD17B10 (0.53) TDP1KDM4EMAPTCAMK2ACA2
SCHEMBL29101379 0.71 AKR1B1 (0.46) AKR1B1CYP1A2TDP1DUSP3PTPN5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2515837-B1 COMPOSITION FOR DYEING KERATIN FIBERS, INCLUDING AT LEAST ONE ORTHO-DIPHENOL DERIVATIVE, ONE PARTICULAR METAL DERIVATIVE, AND ONE ALKALINIZING AGENT OREAL (FR) 2018-11-07 EP claimed
WO-2012084473-A1 PROCESS FOR DYEING KERATIN FIBRES USING RESORCINOL DERIVATIVES, SULFATE SALTS, AN OXIDIZING AGENT AND A BASIFYING AGENT L'OREAL (FR) 2012-06-28 WO claimed
WO-2011157666-A1 COSMETIC USE OF A NATURAL EXTRACT DERIVED FROM BEETROOT PEEL FOR DYEING HAIR COMPOSITION COMPRISING THE EXTRACT, AN OXIDIZING AGENT, A BASIFYING AGENT AN OPTIONAL METALLIC DERIVATIVE L'OREAL (FR) 2011-12-22 WO claimed
WO-2017134132-A1 USE OF POLYAMINE COMPOUNDS WITH AN ALIPHATIC LINKER IN THE PRESENCE OF OXIDIZING AGENTS FOR TREATING KERATIN FIBRES L'OREAL (FR) 2017-08-10 WO disclosed
WO-2017108551-A1 HAIR DYEING PROCESS USING NATURAL DYE, OXIDIZING AGENT, FATTY SUBSTANCES AND SURFACTANTS, COMPOSITION AND KIT COMPRISING THE INGREDIENTS L'OREAL (FR) 2017-06-29 WO disclosed
WO-2017108696-A1 USE OF PARTICULAR POLYAMINE COMPOUNDS IN THE PRESENCE OF OXIDIZING AGENTS FOR TREATING KERATIN FIBRES L'OREAL (FR) 2017-06-29 WO disclosed
US-8608808-B2 Composition for dyeing keratin fibers, including at least one ortho-diphenol derivative, one particular metal derivative, and one alkalinizing agent L'OREAL (FR) 2013-12-17 US disclosed
US-20130139846-A1 COMPOSITION FOR DYEING KERATIN FIBERS, INCLUDING AT LEAST ONE ORTHO-DIPHENOL DERIVATIVE, ONE PARTICULAR METAL DERIVATIVE, AND ONE ALKALINIZING AGENT L'OREAL (FR) 2013-06-06 US disclosed
WO-2012084473-A1 PROCESS FOR DYEING KERATIN FIBRES USING RESORCINOL DERIVATIVES, SULFATE SALTS, AN OXIDIZING AGENT AND A BASIFYING AGENT L'OREAL (FR) 2012-06-28 WO disclosed
WO-2012084472-A1 PROCESS FOR DYEING KERATIN FIBRES USING HYDROXYBENZALDEHYDE DERIVATIVES, OXIDIZING AGENTS AND ALKALINIZING AGENTS IN THE PRESENCE OF HEAT L'OREAL (FR) 2012-06-28 WO disclosed
WO-2011157666-A1 COSMETIC USE OF A NATURAL EXTRACT DERIVED FROM BEETROOT PEEL FOR DYEING HAIR COMPOSITION COMPRISING THE EXTRACT, AN OXIDIZING AGENT, A BASIFYING AGENT AN OPTIONAL METALLIC DERIVATIVE L'OREAL (FR) 2011-12-22 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 (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-20130139846-A1 COMPOSITION FOR DYEING KERATIN FIBERS, INCLUDING AT LEAST ONE ORTHO-DIPHENOL DERIVATIVE, ONE PARTICULAR METAL DERIVATIVE, AND ONE ALKALINIZING AGENT KRT18, DSG1, DSC1 AKR1B1 315/4885CYP1A2 328/4885TDP1 3513/4885

“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.