SCHEMBL490830

SCHEMBL490830

COc1ccc(OC)c(C(C)C(=O)O)c1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
KDM4E B2RXH2 2/20 0.47
HSD17B10 Q99714 1/20 0.47
PTGS2 P35354 4/20 0.45
PTGS1 P23219 3/20 0.45
KMT2A Q03164 1/20 0.43
LDHA P00338 1/20 0.41
AKR1C3 P42330 5/20 0.40
AKR1C2 P52895 5/20 0.40
CDC42 P60953 1/20 0.40
RAC1 P63000 1/20 0.40
CYP1A2 P05177 1/20 0.40
TSHR P16473 1/20 0.40
SLC22A6 Q4U2R8 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 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
SCHEMBL490403 0.80 PTGS2 (0.51) MAPTTDP1KDM4EHSD17B10PTGS2
SCHEMBL490383 0.80 MAPT (0.42) MAPTTDP1KDM4EHSD17B10KMT2A
SCHEMBL15713200 0.76 SMN1; SMN2 (0.40) MAPTTDP1KDM4EHSD17B10CA12
SCHEMBL490689 0.75 PTGS1 (0.54) MAPTKDM4EPTGS2PTGS1KMT2A
SCHEMBL490982 0.75 ALOX5 (0.48) KDM4EKMT2ACA1CA2ACHE
SCHEMBL10338495 0.75 MAPT (0.50) MAPTKDM4EHSD17B10PTGS2PTGS1
SCHEMBL9860824 0.75 MAPT (0.50) MAPTKDM4EHSD17B10PTGS2PTGS1
SCHEMBL4984045 0.75 KDM4E (0.42) MAPTTDP1KDM4EHSD17B10KMT2A
SCHEMBL9862211 0.74 KMT2A (0.66) MAPTTDP1KDM4EHSD17B10KMT2A
SCHEMBL1679429 0.74 PTGS2 (0.53) MAPTTDP1KDM4EHSD17B10PTGS2

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 11 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
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 MAPT 1644/4885TDP1 1049/4885KDM4E 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 MAPT 1111/4885TDP1 2793/4885KDM4E 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.