SCHEMBL490457

SCHEMBL490457

CCOC(=O)C(C)c1cc(OC)ccc1OC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 3/20 0.53
ADRA2A P08913 2/20 0.53
CYP2D6 P10635 2/20 0.51
MAPK1 P28482 2/20 0.50
ADRB2 P07550 1/20 0.50
ADRB1 P08588 1/20 0.50
ADRB3 P13945 1/20 0.50
MEN1 O00255 1/20 0.50
BLM P54132 1/20 0.50
KMT2A Q03164 1/20 0.50
HTT P42858 1/20 0.49
TSHR P16473 2/20 0.48
LMNA P02545 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C19 P33261 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
ACHE P22303 1/20 0.47
HIF1A Q16665 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
SCHEMBL491096 0.88 HIF1A (0.46) MAPK1TSHRACHEHIF1AMAPT
SCHEMBL10665110 0.86 ADRA1A (0.54) ADRA1AADRA2ACYP2D6MAPK1ADRB2
SCHEMBL4981399 0.86 CYP2D6 (0.58) ADRA1AADRA2ACYP2D6MAPK1ADRB2
SCHEMBL7354017 0.82 ADRA1A (0.50) ADRA1AADRA2ACYP2D6MAPK1ADRB2
SCHEMBL7354012 0.82 ADRA1A (0.50) ADRA1AADRA2ACYP2D6MAPK1ADRB2
SCHEMBL28027161 0.82 ADRA1A (0.58) ADRA1AADRA2ACYP2D6MAPK1ADRB2
SCHEMBL7061295 0.82 ADRA1A (0.47) ADRA1AADRA2ACYP2D6MAPK1ADRB2
SCHEMBL3948168 0.81 ALDH1A1 (0.49) TSHR
SCHEMBL6372898 0.81 HTT (0.49) ADRA1AADRA2ACYP2D6MAPK1ADRB2
SCHEMBL491187 0.81 PTGS2 (0.61) ADRA1AADRA2ACYP2D6MAPK1ADRB2

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 7 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-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

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 ADRA1A 1802/4885ADRA2A 2615/4885CYP2D6 252/4885
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 ADRA1A 4075/4885ADRA2A 3707/4885CYP2D6 164/4885

“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.