SCHEMBL490435

SCHEMBL490435

CCOC(=O)C(Cc1cc(O)c(O)cc1O)C(=O)OCC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.47
USP2 O75604 2/20 0.47
ALDH1A1 P00352 2/20 0.47
CYP3A4 P08684 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
RGS12 O14924 1/20 0.47
CYP2C9 P11712 1/20 0.47
PKM P14618 1/20 0.47
NFKB1 P19838 1/20 0.47
CASP1 P29466 1/20 0.47
BRCA1 P38398 1/20 0.47
THPO P40225 1/20 0.47
CASP7 P55210 1/20 0.47
GNAI1 P63096 1/20 0.47
HIF1A Q16665 1/20 0.47
HSD17B10 Q99714 1/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL490495 0.81 CA12 (0.53) ALOX15ALDH1A1CYP3A4CYP2C9HIF1A
SCHEMBL490692 0.81 CA12 (0.53) ALOX15ALDH1A1CYP3A4TDP1MEN1
SCHEMBL332351 0.77 ALDH1A1 (0.46) ALDH1A1TDP1MEN1KMT2ATSHR
SCHEMBL490864 0.77 LMNA (0.51) ALOX15USP2ALDH1A1CYP3A4TDP1
SCHEMBL490623 0.77 ALOX15 (0.68) ALOX15USP2ALDH1A1CYP3A4TDP1
SCHEMBL490574 0.76 ALDH1A1 (0.45) ALOX15ALDH1A1TDP1PKMHSD17B10
SCHEMBL490951 0.76 ALOX15 (0.53) ALOX15USP2ALDH1A1CYP3A4TDP1
SCHEMBL19502670 0.76 MMP8 (0.54) ALDH1A1TDP1MEN1POLBKMT2A
SCHEMBL490693 0.75 MMP8 (0.46) ALDH1A1CYP3A4TDP1L3MBTL1TSHR
SCHEMBL490722 0.75 CA12 (0.50) ALDH1A1TDP1MAPTHPGDRECQL

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 6 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

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 ALOX15 156/4885USP2 2963/4885ALDH1A1 181/4885
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 ALOX15 1546/4885USP2 173/4885ALDH1A1 314/4885

“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.