SCHEMBL490857

SCHEMBL490857

COc1cccc(CC(C(=O)O)C(=O)O)c1OC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
HIF1A Q16665 1/20 0.50
ATM Q13315 1/20 0.49
LDHA P00338 1/20 0.49
CTSG P08311 1/20 0.47
CMA1 P23946 1/20 0.47
KDM4E B2RXH2 3/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA14 Q9ULX7 2/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
ABCB1 P08183 1/20 0.46
ABCG2 Q9UNQ0 1/20 0.46

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
SCHEMBL30013379 0.86 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1HIF1AATM
SCHEMBL7885274 0.86 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1HIF1AATM
SCHEMBL29785614 0.86 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1HIF1AATM
SCHEMBL7375715 0.86 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1HIF1AATM
SCHEMBL491064 0.85 LDHA (0.54) ALDH1A1KMT2AMEN1LDHAKDM4E
SCHEMBL491027 0.84 LMNA (0.52) ALDH1A1KMT2AMEN1HIF1AATM
SCHEMBL8407350 0.84 PPARA (0.53) ALDH1A1KMT2AMEN1HIF1AATM
SCHEMBL6175477 0.83 OPRK1 (0.51) ALDH1A1KMT2AMEN1LDHAKDM4E
SCHEMBL490661 0.81 ABCB1 (0.51) ALDH1A1CTSGCMA1KDM4EHPGD
SCHEMBL991380 0.79 KMT2A (0.54) ALDH1A1KMT2AMEN1HIF1AATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180207080-A1 COMPOSITIONS OF FLUORINATED SURFACTANTS AND ANTIOXIDANTS MERCK PATENT GMBH (DE) 2018-07-26 US disclosed
US-8598228-B2 Cinnamic acid ascorbates MERCK PATENT GMBH (DE) 2013-12-03 US disclosed
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-20120052028-A1 CINNAMIC ACID ASCORBATES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-03-01 US 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-7906684-B2 Antioxidants MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-03-15 US disclosed
US-20090246158-A1 ANTIOXIDANTS MERCK PATENT GESELLSCHAFT (DE) 2009-10-01 US disclosed
US-20090098072-A1 ANTIOXIDANTS MERCK PATENT GESELLSCHAFT (DE) 2009-04-16 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-1871735-A1 ANTIOXIDANTS Merck Patent GmbH (DE) 2008-01-02 EP disclosed
EP-1871339-A1 UV PROTECTION Merck Patent GmbH (DE) 2008-01-02 EP disclosed
WO-2006111234-A1 UV PROTECTION MERCK PATENT GMBH (DE) 2006-10-26 WO disclosed
WO-2006111233-A1 ANTIOXIDANTS 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 (6 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 ALDH1A1 181/4885KMT2A 4023/4885MEN1 3467/4885
US-20090246158-A1 ANTIOXIDANTS LPO, GPX1, GPX4 ALDH1A1 408/4885KMT2A 2864/4885MEN1 2805/4885
US-20090098072-A1 ANTIOXIDANTS GPX1, PRDX3, XDH ALDH1A1 198/4885KMT2A 3092/4885MEN1 3070/4885
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 ALDH1A1 314/4885KMT2A 1522/4885MEN1 2420/4885
US-20180207080-A1 COMPOSITIONS OF FLUORINATED SURFACTANTS AND ANTIOXIDANTS LPO, CAT, GPX4 ALDH1A1 1313/4885KMT2A 3996/4885MEN1 3221/4885
US-20120052028-A1 CINNAMIC ACID ASCORBATES PROC, C1S, NISCH ALDH1A1 16/4885KMT2A 4030/4885MEN1 1906/4885

“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.