SCHEMBL490672

SCHEMBL490672

CCOC(=O)CCc1c(OC)cc(OC)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CYP4F2 P78329 2/20 0.45
CYP4A11 Q02928 2/20 0.45
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
TNF P01375 2/20 0.44
CYP3A4 P08684 2/20 0.42
USP2 O75604 1/20 0.42
MAPK1 P28482 1/20 0.42
HPGD P15428 3/20 0.42
HSD17B10 Q99714 2/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42

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
SCHEMBL28757991 0.91 HPGD (0.48) POLBSMN1; SMN2CYP4F2CYP4A11KDM4E
SCHEMBL1745586 0.87 KDM4E (0.47) POLBSMN1; SMN2CYP4F2CYP4A11KDM4E
SCHEMBL1745188 0.83 TAAR1 (0.53) POLBSMN1; SMN2CYP4F2CYP4A11KDM4E
SCHEMBL14930194 0.83 TSHR (0.55) SMN1; SMN2KDM4EALDH1A1KMT2AMEN1
SCHEMBL491048 0.82 CYP1A2 (0.55) SMN1; SMN2CYP4F2CYP4A11KDM4EALDH1A1
SCHEMBL27986455 0.81 CYP3A4 (0.49) SMN1; SMN2CYP3A4USP2MAPK1ABCG2
SCHEMBL846066 0.81 CNR2 (0.41) POLBCYP4F2CYP4A11KDM4EALDH1A1
SCHEMBL6136785 0.81 KDM4E (0.48) POLBSMN1; SMN2CYP4F2CYP4A11KDM4E
SCHEMBL491098 0.80 POLB (0.54) POLBCYP4F2CYP4A11ALDH1A1MAPK1
SCHEMBL63490 0.80 CYP4F2 (0.56) POLBSMN1; SMN2CYP4F2CYP4A11ALDH1A1

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 12 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-7871822-B2 Method of use for characterizing the catalytic reactivity of catalyst(s) NOVALYST DISCOVERY (FR) 2011-01-18 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-101203278-A Ultraviolet protection MERCK PATENT GMBH (DE) 2008-06-18 CN 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 (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 POLB 259/4885SMN1; SMN2 1624/4885CYP4F2 287/4885
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 POLB 236/4885SMN1; SMN2 4479/4885CYP4F2 1045/4885

“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.