SCHEMBL4612945

SCHEMBL4612945

O=C1C(=O)c2ccc3c4c(ccc(c24)C1=O)C(=O)C(=O)C3=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 5/20 0.59
BCHE P06276 3/20 0.59
ACHE P22303 1/20 0.59
CES2 O00748 2/20 0.50
ALDH1A1 P00352 2/20 0.50
MCL1 Q07820 1/20 0.50
S100A4 P26447 6/20 0.44
PTPRC P08575 5/20 0.44
TDP2 O95551 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
PLCG1 P19174 3/20 0.44
MAOA P21397 2/20 0.44
APAF1 O14727 2/20 0.44
NPC1 O15118 2/20 0.44
LMNA P02545 2/20 0.44
PLA2G1B P04054 2/20 0.44
POLB P06746 2/20 0.44
PPARG P37231 2/20 0.44
HTT P42858 2/20 0.44

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
SCHEMBL3198619 0.96 CES1 (0.55) CES1BCHEACHECES2ALDH1A1
SCHEMBL4612585 0.87 BCL2 (0.54) CES1BCHEACHECES2ALDH1A1
SCHEMBL3187376 0.81 S100A4 (0.46) CES1BCHEACHECES2ALDH1A1
SCHEMBL11428765 0.78 S100A4 (0.44) CES1BCHEACHECES2ALDH1A1
SCHEMBL12109752 0.78 TDP2 (0.54) CES1BCHEACHECES2ALDH1A1
SCHEMBL2699746 0.77 BCHE (1.00) CES1BCHEACHEALDH1A1S100A4
SCHEMBL14257723 0.76 LMNA (0.50) CES1BCHEACHECES2ALDH1A1
SCHEMBL10048344 0.76 CES1 (0.48) CES1BCHEACHECES2ALDH1A1
SCHEMBL12941544 0.74 BCHE (0.40) CES1BCHEACHECES2ALDH1A1
SCHEMBL16601741 0.73 BCHE (0.39) CES1BCHEACHECES2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1502580-B1 Use in dyeing of aromatic polycyclic vicinal triones with condensed cycles OREAL (FR) 2008-01-23 EP claimed
US-7179304-B2 Process for dyeing keratin fibers with at least one polycyclic aromatic vicinal trione L'OREAL S.A. (FR) 2007-02-20 US claimed
US-20050050652-A1 Process for dyeing keratin fibers with at least one polycyclic aromatic vicinal trione L'OREAL S.A. (FR) 2005-03-10 US claimed
EP-1502580-A1 Use in dyeing of aromatic polycyclic vicinal triones with condensed cycles L'OREAL (FR) 2005-02-02 EP claimed
EP-2259371-B1 ELECTRODE ACTIVE MATERIAL FOR ELECTRICITY STORAGE DEVICE, ELECTRICITY STORAGE DEVICE, ELECTRONIC DEVICE AND TRANSPORT DEVICE PANASONIC CORP (JP) 2015-04-01 EP disclosed
US-8338028-B2 Electrode active material for power storage device, power storage device, and electronic and transport devices PANASONIC CORPORATION (JP) 2012-12-25 US disclosed
US-8338028-B2 Electrode active material for power storage device, power storage device, and electronic and transport devices PANASONIC CORPORATION (JP) 2012-12-25 US disclosed
EP-2259371-A1 ELECTRODE ACTIVE MATERIAL FOR ELECTRICITY STORAGE DEVICE, ELECTRICITY STORAGE DEVICE, ELECTRONIC DEVICE AND TRANSPORT DEVICE Panasonic Corporation (JP) 2010-12-08 EP disclosed
US-20100196758-A1 ELECTRODE ACTIVE MATERIAL FOR POWER STORAGE DEVICE, POWER STORAGE DEVICE, AND ELCTRONIC AND TRANSPORT DEVICES PANASONIC CORPORATION (JP) 2010-08-05 US disclosed
US-20100196758-A1 ELECTRODE ACTIVE MATERIAL FOR POWER STORAGE DEVICE, POWER STORAGE DEVICE, AND ELCTRONIC AND TRANSPORT DEVICES PANASONIC CORPORATION (JP) 2010-08-05 US disclosed
WO-2009118990-A1 ELECTRODE ACTIVE MATERIAL FOR ELECTRICITY STORAGE DEVICE, ELECTRICITY STORAGE DEVICE, ELECTRONIC DEVICE AND TRANSPORT DEVICE パナソニック株式会社 (JP) 2009-10-01 WO disclosed
EP-1502580-B1 Use in dyeing of aromatic polycyclic vicinal triones with condensed cycles OREAL (FR) 2008-01-23 EP disclosed
US-7179304-B2 Process for dyeing keratin fibers with at least one polycyclic aromatic vicinal trione L'OREAL S.A. (FR) 2007-02-20 US disclosed
US-7179304-B2 Process for dyeing keratin fibers with at least one polycyclic aromatic vicinal trione L'OREAL S.A. (FR) 2007-02-20 US disclosed
US-7179304-B2 Process for dyeing keratin fibers with at least one polycyclic aromatic vicinal trione L'OREAL S.A. (FR) 2007-02-20 US disclosed
US-20050050652-A1 Process for dyeing keratin fibers with at least one polycyclic aromatic vicinal trione L'OREAL S.A. (FR) 2005-03-10 US disclosed
EP-1502580-A1 Use in dyeing of aromatic polycyclic vicinal triones with condensed cycles L'OREAL (FR) 2005-02-02 EP 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-20050050652-A1 Process for dyeing keratin fibers with at least one polycyclic aromatic vicinal trione KRT18, HKDC1, JUP CES1 3784/4885BCHE 2037/4885ACHE 1234/4885
US-20100196758-A1 ELECTRODE ACTIVE MATERIAL FOR POWER STORAGE DEVICE, POWER STORAGE DEVICE, AND ELCTRONIC AND TRANSPORT DEVICES CXCR5, CX3CR1, CCR7 CES1 2440/4885BCHE 1857/4885ACHE 2726/4885

“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.