SCHEMBL491047

SCHEMBL491047

CCOC(=O)C(C)c1cc(OC)cc(OC)c1OC

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP3A4 P08684 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.40
HIF1A Q16665 1/20 0.40
CYP1A2 P05177 1/20 0.39
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38

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
SCHEMBL490670 0.81 ALDH1A1 (0.43) ALDH1A1CYP3A4HPGDMAPK1HIF1A
SCHEMBL490549 0.81 PTGS2 (0.46) MEN1KMT2ACYP3A4MAPK1CYP1A2
SCHEMBL490367 0.81 TDP1 (0.47) ALDH1A1CYP3A4MAPK1CA2
SCHEMBL490457 0.81 ADRA1A (0.53) MEN1KMT2AMAPK1HIF1ACYP1A2
SCHEMBL491096 0.81 HIF1A (0.46) ALDH1A1MAPK1HIF1A
SCHEMBL490973 0.79 ALOX5 (0.47) MEN1KMT2AALDH1A1HPGDCA1
SCHEMBL491076 0.78 ALDH1A1 (0.53) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL490336 0.78 MAPT (0.44) MEN1KMT2AKDM4EALDH1A1
SCHEMBL490751 0.76 KDM1A (0.49) MEN1KMT2AKDM4EALDH1A1CYP3A4
SCHEMBL490607 0.76 AOC3 (0.46) MEN1KMT2AKDM4EALDH1A1MAPK1

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 MEN1 3467/4885KMT2A 4023/4885KDM4E 3685/4885
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 MEN1 2420/4885KMT2A 1522/4885KDM4E 359/4885

“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.