SCHEMBL490859

SCHEMBL490859

CCCCC(CC)COC(=O)C(Cc1cc(OC)cc(OC)c1OC)C(=O)OCC(CC)CCCC

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.47
ALDH1A1 P00352 5/20 0.43
CYP3A4 P08684 3/20 0.43
CA2 P00918 1/20 0.43
TSHR P16473 3/20 0.42
MAPK1 P28482 3/20 0.42
ATM Q13315 1/20 0.42
ALOX5 P09917 2/20 0.41
LMNA P02545 3/20 0.40
HSD17B10 Q99714 1/20 0.40
RECQL P46063 1/20 0.39
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
CYP1A2 P05177 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
SCHEMBL490513 0.87 TDP1 (0.53) TDP1ALDH1A1CYP3A4CA2TSHR
SCHEMBL490970 0.86 TDP1 (0.52) TDP1ALDH1A1CYP3A4CA2TSHR
SCHEMBL490502 0.86 TDP1 (0.50) TDP1ALDH1A1CYP3A4CA2TSHR
SCHEMBL490710 0.85 ALDH1A1 (0.46) TDP1ALDH1A1CYP3A4CA2TSHR
SCHEMBL490522 0.84 ALDH1A1 (0.48) TDP1ALDH1A1CYP3A4CA2TSHR
SCHEMBL490459 0.84 ALDH1A1 (0.49) TDP1ALDH1A1CYP3A4CA2TSHR
SCHEMBL490368 0.83 CYP3A4 (0.53) TDP1ALDH1A1CYP3A4CA2TSHR
SCHEMBL490721 0.83 ALDH1A1 (0.47) TDP1ALDH1A1CYP3A4CA2TSHR
SCHEMBL491115 0.81 CYP1A2 (0.48) TDP1ALDH1A1CA2TSHRMAPK1
SCHEMBL491043 0.81 TDP1 (0.52) TDP1ALDH1A1CYP3A4CA2TSHR

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
EP-2238964-A2 Stabilised cosmetic compounds Henkel AG & Co. KGaA (DE) 2010-10-13 EP claimed
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
EP-2238964-A2 Stabilised cosmetic compounds Henkel AG & Co. KGaA (DE) 2010-10-13 EP 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-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 TDP1 1049/4885ALDH1A1 181/4885CYP3A4 392/4885
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 TDP1 2793/4885ALDH1A1 314/4885CYP3A4 63/4885

“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.