SCHEMBL490751

SCHEMBL490751

CCOC(=O)C(C)c1cc(OC)c(OC)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.49
GAA P10253 2/20 0.46
MGAM O43451 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
POLB P06746 3/20 0.43
TSHR P16473 2/20 0.43
MAPT P10636 2/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 1/20 0.43
HIF1A Q16665 1/20 0.41
MAPK1 P28482 2/20 0.41
HSD17B2 P37059 1/20 0.41
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 1/20 0.40
CYP3A4 P08684 1/20 0.40
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL28968849 0.92 KDM1A (0.45) KDM1AGAAPOLBTSHRMAPT
SCHEMBL491096 0.81 HIF1A (0.46) POLBTSHRMAPTHIF1AMAPK1
SCHEMBL490457 0.81 ADRA1A (0.53) TSHRMAPTHSD17B10HIF1AMAPK1
SCHEMBL11263712 0.79 KMT2A (0.49) GAAPOLBTSHRMAPTKMT2A
SCHEMBL490436 0.78 PTGS2 (0.55) GAAMGAMSIMGAM2POLB
SCHEMBL30824278 0.78 PTGS2 (0.55) GAAMGAMSIMGAM2POLB
SCHEMBL3948168 0.77 ALDH1A1 (0.49) TSHRHPGDALDH1A1KDM4ESMN1; SMN2
SCHEMBL490992 0.77 ALDH1A1 (0.48) GAAMGAMSIMGAM2TSHR
SCHEMBL28968846 0.77 POLB (0.43) GAAMGAMSIMGAM2POLB
SCHEMBL491275 0.77 HIF1A (0.58) POLBHIF1AKMT2AALDH1A1LMNA

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 KDM1A 3043/4885GAA 940/4885MGAM 2552/4885
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 KDM1A 433/4885GAA 309/4885MGAM 893/4885

“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.