SCHEMBL490593

SCHEMBL490593

O=C(O)C(Cc1ccc(O)c(O)c1)C(=O)O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM6B O15054 1/20 0.72
KDM4E B2RXH2 7/20 0.70
HSD17B10 Q99714 6/20 0.70
TDP1 Q9NUW8 6/20 0.70
ALOX15 P16050 5/20 0.70
RECQL P46063 5/20 0.70
HIF1A Q16665 4/20 0.70
USP2 O75604 3/20 0.70
LCK P06239 3/20 0.70
ADORA3 P0DMS8 2/20 0.70
HTR2A P28223 2/20 0.70
PTGS2 P35354 2/20 0.70
FYN P06241 2/20 0.70
EGFR P00533 1/20 0.70
PTGS1 P23219 1/20 0.70
SLC7A5 Q01650 1/20 0.70
PLA2G1B P04054 1/20 0.61
HPGD P15428 5/20 0.59
MAPT P10636 5/20 0.59
POLB P06746 4/20 0.59

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
SCHEMBL28036283 0.89 KDM4E (0.67) KDM6BKDM4EHSD17B10TDP1ALOX15
SCHEMBL6382667 0.86 KDM6B (0.70) KDM6BKDM4EHSD17B10TDP1ALOX15
SCHEMBL17382574 0.84 MDM2 (0.59) KDM6BKDM4EHSD17B10TDP1ALOX15
SCHEMBL18469325 0.84 KDM6B (1.00) KDM6BKDM4EHSD17B10TDP1ALOX15
SCHEMBL29350434 0.84 KDM6B (1.00) KDM6BKDM4EHSD17B10TDP1ALOX15
SCHEMBL29869020 0.84 KDM6B (1.00) KDM6BKDM4EHSD17B10TDP1ALOX15
SCHEMBL5691448 0.84 KDM6B (1.00) KDM6BKDM4EHSD17B10TDP1ALOX15
SCHEMBL829784 0.84 KDM6B (1.00) KDM6BKDM4EHSD17B10TDP1ALOX15
Levodopa SCHEMBL116907 0.82 SLC7A5 (1.00) KDM6BKDM4EHSD17B10TDP1ALOX15
SCHEMBL6535013 0.82 KDM6B (0.96) KDM6BKDM4EHSD17B10TDP1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8268293-B2 Using compounds which do not themselves exhibit significant UV absorption in the UV-A or UV-B region, but are reactive under use conditions, such as 4-hydroxyphenylpropionic acid, or 2-ethylhexyl 4-hydroxy-3,5-dimethoxycinnamate, or polysiloxanes which contain benzylidenemalonic acid derivatives MERCK PATENT GMBH (DE) 2012-09-18 US disclosed
CN-101163659-B Antioxidants MERCK PATENT GMBH 2012-09-05 CN disclosed
US-8106233-B2 Applying di-2-ethylhexyl 4-hydroxy-3,5-dimethoxy-benzylmalonate; protective action against UV rays, oxidative stress on body cells, counters skin ageing MERCK PATENT GMBH (DE) 2012-01-31 US disclosed
US-20080171004-A1 Using compounds which do not themselves exhibit significant UV absorption in the UV-A or UV-B region, but are reactive under use conditions, such as 4-hydroxyphenylpropionic acid, or 2-ethylhexyl 4-hydroxy-3,5-dimethoxycinnamate, or polysiloxanes which contain benzylidenemalonic acid derivatives MERCK PATENT GMBH (DE) 2008-07-17 US disclosed
US-20080152603-A1 Antioxidants SUSONITY Commercial GmbH (DE) 2008-06-26 US disclosed
CN-101163659-A Antioxidants MERCK PATENT GMBH (DE) 2008-04-16 CN disclosed
EP-1871339-A1 UV PROTECTION Merck Patent GmbH (DE) 2008-01-02 EP disclosed
EP-1871735-A1 ANTIOXIDANTS Merck Patent GmbH (DE) 2008-01-02 EP disclosed
WO-2006111233-A1 ANTIOXIDANTS MERCK PATENT GMBH (DE) 2006-10-26 WO disclosed
WO-2006111234-A1 UV PROTECTION MERCK PATENT GMBH (DE) 2006-10-26 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 (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-20080152603-A1 Antioxidants GPX4, GPX1, CAT KDM6B 3013/4885KDM4E 3685/4885HSD17B10 364/4885
US-20080171004-A1 Using compounds which do not themselves exhibit significant UV absorption in the UV-A or UV-B region, but are reactive under use conditions, such as 4-hydroxyphenylpropionic acid, or 2-ethylhexyl 4-hydroxy-3,5-dimethoxycinnamate, or polysiloxanes which contain benzylidenemalonic acid derivatives HPD, HAAO, UGT1A6 KDM6B 54/4885KDM4E 359/4885HSD17B10 699/4885

“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.