SCHEMBL490574

SCHEMBL490574

CCOC(=O)C(Cc1ccc(O)c(O)c1O)C(=O)OCC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
TSHR P16473 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
MMP8 P22894 1/20 0.41
CA12 O43570 3/20 0.40
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA7 P43166 3/20 0.40
CA9 Q16790 3/20 0.40
CA14 Q9ULX7 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
RECQL P46063 2/20 0.40
TLR2 O60603 1/20 0.40
NSD2 O96028 1/20 0.40
POLB P06746 1/20 0.40
PKM P14618 1/20 0.40
MPI P34949 1/20 0.40
GRK6 P43250 1/20 0.40
TLR1 Q15399 1/20 0.40

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
SCHEMBL490722 0.85 CA12 (0.50) ALDH1A1TSHRSMN1; SMN2MMP8CA12
SCHEMBL490692 0.79 CA12 (0.53) ALDH1A1TSHRSMN1; SMN2CA12CA1
SCHEMBL490495 0.79 CA12 (0.53) ALDH1A1TSHRSMN1; SMN2MMP8CA12
SCHEMBL490445 0.78 KMT2A (0.44) ALDH1A1KDM4EMAPTPOLBMEN1
SCHEMBL490797 0.78 LMNA (0.52) ALDH1A1TSHRSMN1; SMN2CA2RECQL
SCHEMBL19502670 0.77 MMP8 (0.54) ALDH1A1TSHRSMN1; SMN2MMP8POLB
SCHEMBL491006 0.76 L3MBTL1 (0.49) ALDH1A1TSHRSMN1; SMN2KDM4EMAPT
SCHEMBL490435 0.76 ALOX15 (0.47) ALDH1A1TSHRSMN1; SMN2MMP8CA12
SCHEMBL490951 0.73 ALOX15 (0.53) ALDH1A1TSHRMMP8CA12CA1
SCHEMBL490361 0.73 CYP4F2 (0.55) ALDH1A1SMN1; SMN2

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 5 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
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 ALDH1A1 181/4885TSHR 4679/4885SMN1; SMN2 1624/4885
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 ALDH1A1 314/4885TSHR 4810/4885SMN1; SMN2 4479/4885

“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.