SCHEMBL490693

SCHEMBL490693

CCOC(=O)C(Cc1cc(O)c(O)c(O)c1)C(=O)OCC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.46
CYP3A4 P08684 1/20 0.42
ALDH1A1 P00352 2/20 0.42
TP53 P04637 1/20 0.42
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
TSHR P16473 2/20 0.40
ESR1 P03372 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SERPINE1 P05121 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
AKR1C4 P17516 1/20 0.38

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
SCHEMBL490688 0.84 CA12 (0.52) MMP8CYP3A4ALDH1A1TP53NR1H2
SCHEMBL490951 0.83 ALOX15 (0.53) MMP8CYP3A4ALDH1A1TP53TSHR
SCHEMBL491022 0.81 LDHA (0.47) MMP8ALDH1A1CA12CA1CA2
SCHEMBL490563 0.80 HMGCR (0.57) MMP8CYP3A4ALDH1A1TP53TSHR
SCHEMBL1312803 0.79 MMP8 (0.62) MMP8ALDH1A1TP53TSHRSMN1; SMN2
SCHEMBL490506 0.78 ALOX15 (0.60) CYP3A4TSHR
SCHEMBL490334 0.77 MAPK1 (0.51) MMP8CYP3A4ALDH1A1TP53TSHR
SCHEMBL490976 0.77 LMNA (0.51) CYP3A4ALDH1A1TSHRESR1MAPK1
SCHEMBL490656 0.77 KDM6B (0.46) CYP3A4ALDH1A1TP53TSHRSMN1; SMN2
SCHEMBL5800254 0.76 MMP8 (0.55) MMP8ALDH1A1TP53ESR1CA12

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 MMP8 1383/4885CYP3A4 392/4885ALDH1A1 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 MMP8 2789/4885CYP3A4 63/4885ALDH1A1 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.