SCHEMBL490861

SCHEMBL490861

CCCCC(CC)COC(=O)C(=Cc1ccc(O)c(OC)c1)C(=O)OCC(CC)CCCC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.52
TDP1 Q9NUW8 2/20 0.50
LMNA P02545 2/20 0.49
ALDH1A1 P00352 4/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
GLO1 Q04760 4/20 0.48
ABL1 P00519 1/20 0.48
CA2 P00918 2/20 0.47
CYP3A4 P08684 2/20 0.47
TSHR P16473 3/20 0.46
MAPK1 P28482 2/20 0.46
IKBKB O14920 1/20 0.46
CHUK O15111 1/20 0.46
IKBKG Q9Y6K9 1/20 0.46
MAOB P27338 2/20 0.45
HTR1A P08908 1/20 0.44
SNCA P37840 2/20 0.43
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43

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
SCHEMBL2268635 0.95 MAPT (0.58) MAPTTDP1LMNAALDH1A1MEN1
SCHEMBL8330361 0.91 TDP1 (0.52) MAPTTDP1LMNAALDH1A1MEN1
SCHEMBL20395702 0.90 LMNA (0.48) MAPTTDP1LMNAALDH1A1MEN1
SCHEMBL20395676 0.89 LMNA (0.47) MAPTTDP1LMNAALDH1A1MEN1
SCHEMBL490643 0.89 LMNA (0.53) TDP1LMNAALDH1A1CA2CYP3A4
SCHEMBL19532995 0.88 LMNA (0.47) MAPTTDP1LMNAALDH1A1MEN1
SCHEMBL168789 0.88 TDP1 (0.47) MAPTTDP1LMNAALDH1A1KMT2A
SCHEMBL30632224 0.87 TDP1 (0.47) MAPTTDP1LMNAALDH1A1CA2
SCHEMBL11524041 0.87 LMNA (0.51) MAPTTDP1LMNAALDH1A1MEN1
SCHEMBL490320 0.85 TDP1 (0.47) MAPTTDP1LMNAALDH1A1MEN1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
EP-1871339-A1 UV PROTECTION Merck Patent GmbH (DE) 2008-01-02 EP claimed
WO-2006111234-A1 UV PROTECTION MERCK PATENT GMBH (DE) 2006-10-26 WO claimed
US-20180207080-A1 COMPOSITIONS OF FLUORINATED SURFACTANTS AND ANTIOXIDANTS MERCK PATENT GMBH (DE) 2018-07-26 US disclosed
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
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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 1049/4885LMNA 1949/4885
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 2793/4885LMNA 565/4885
US-20180207080-A1 COMPOSITIONS OF FLUORINATED SURFACTANTS AND ANTIOXIDANTS LPO, CAT, GPX4 MAPT 1864/4885TDP1 895/4885LMNA 2333/4885

“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.