SCHEMBL490360

SCHEMBL490360

CCOC(=O)C(C)c1ccc(O)c(O)c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 3/20 0.42
MAPT P10636 3/20 0.42
RECQL P46063 3/20 0.42
HPGD P15428 3/20 0.42
ALOX15 P16050 2/20 0.42
HSD17B10 Q99714 2/20 0.42
CA12 O43570 5/20 0.41
CA1 P00915 5/20 0.41
CA2 P00918 5/20 0.41
CA7 P43166 5/20 0.41
CA9 Q16790 5/20 0.41
CA14 Q9ULX7 5/20 0.41
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
SCHEMBL490582 0.85 CA1 (0.51) ALDH1A1MAPTHPGDCA12CA1
SCHEMBL490708 0.78 CA12 (0.54) KDM4EMAPTCA12CA1CA2
SCHEMBL5598897 0.78 CA1 (0.57) HPGDCA12CA1CA2CA7
SCHEMBL490900 0.78 CA12 (0.54) KDM4EMAPTCA12CA1CA2
SCHEMBL491011 0.77 L3MBTL1 (0.49) ALDH1A1KDM4EMAPTHPGDALOX15
SCHEMBL490535 0.77 LMNA (0.53) ALDH1A1RECQLHSD17B10CA2L3MBTL1
SCHEMBL31074064 0.77 TSHR (0.53) ALDH1A1RECQLHPGDCA12CA1
SCHEMBL10858287 0.77 TSHR (0.53) ALDH1A1RECQLHPGDCA12CA1
SCHEMBL1744701 0.76 CA12 (0.47) KDM4EMAPTCA12CA1CA2
SCHEMBL490949 0.76 PTGS2 (0.49) TSHRLMNAESR1

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
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
CN-101203278-A Ultraviolet protection MERCK PATENT GMBH (DE) 2008-06-18 CN 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 181/4885KDM4E 3685/4885MAPT 1644/4885
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 314/4885KDM4E 359/4885MAPT 1111/4885

“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.