SCHEMBL490867

SCHEMBL490867

COC(c1ccccc1)C(OC)(C(=O)O)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.38
CYP2D6 P10635 1/20 0.38
ATM Q13315 1/20 0.38
SRC P12931 1/20 0.38
TSHR P16473 1/20 0.38
ALDH1A1 P00352 2/20 0.37
GAA P10253 2/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
CES1 P23141 1/20 0.37

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
SCHEMBL934106 0.79 KMT2A (0.46) KMT2AL3MBTL1CYP2D6ATMSRC
SCHEMBL16391353 0.79 KMT2A (0.46) KMT2AL3MBTL1CYP2D6ATMSRC
SCHEMBL16447678 0.76 KMT2A (0.43) KMT2AL3MBTL1CYP2D6ATMSRC
SCHEMBL10512562 0.75 KMT2A (0.39) KMT2AL3MBTL1CYP2D6ATMTSHR
SCHEMBL16391212 0.74 KMT2A (0.44) KMT2AL3MBTL1CYP2D6ATMSRC
SCHEMBL5992890 0.74 KMT2A (0.44) KMT2AL3MBTL1CYP2D6ATMSRC
SCHEMBL14478314 0.74 CYP1A2 (0.59) KMT2AL3MBTL1CYP2D6ATMTSHR
SCHEMBL16369994 0.73 KCNN4 (0.47) KMT2AL3MBTL1CYP2D6ATMSRC
SCHEMBL17223814 0.73 KMT2A (0.44) KMT2AL3MBTL1CYP2D6ATMTSHR
SCHEMBL1070430 0.73 KMT2A (0.40) KMT2AL3MBTL1CYP2D6ATMSRC

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-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
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

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 KMT2A 4023/4885L3MBTL1 4336/4885CYP2D6 252/4885
US-20090246158-A1 ANTIOXIDANTS LPO, GPX1, GPX4 KMT2A 2864/4885L3MBTL1 3501/4885CYP2D6 1036/4885
US-20090098072-A1 ANTIOXIDANTS GPX1, PRDX3, XDH KMT2A 3092/4885L3MBTL1 3980/4885CYP2D6 398/4885
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 KMT2A 1522/4885L3MBTL1 3978/4885CYP2D6 164/4885
US-20180207080-A1 COMPOSITIONS OF FLUORINATED SURFACTANTS AND ANTIOXIDANTS LPO, CAT, GPX4 KMT2A 3996/4885L3MBTL1 4767/4885CYP2D6 1165/4885
US-20120052028-A1 CINNAMIC ACID ASCORBATES PROC, C1S, NISCH KMT2A 4030/4885L3MBTL1 4650/4885CYP2D6 640/4885

“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.