SCHEMBL490447

SCHEMBL490447

COc1ccc(CC(C(=O)OCCc2ccccc2)C(=O)OCCc2ccccc2)c(OC)c1OC

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALOX5 P09917 4/20 0.46
KDM4E B2RXH2 2/20 0.46
TTR P02766 3/20 0.46
ALDH1A1 P00352 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
PDE4D Q08499 1/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
AKR1B10 O60218 1/20 0.41
AKR1B1 P15121 1/20 0.41

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
SCHEMBL490661 0.90 ABCB1 (0.51) ALOX5KDM4EALDH1A1HPGD
SCHEMBL490595 0.86 ALOX5 (0.47) ALOX5KDM4ETTRPDE4DPKM
SCHEMBL491279 0.82 ALOX5 (0.51) ALOX5TTRMEN1KMT2AAKR1B10
SCHEMBL490146 0.82 ALOX5 (0.54) SMN1; SMN2ALOX5TTRALDH1A1HPGD
SCHEMBL490644 0.82 ALOX5 (0.46) ALOX5TTRMEN1KMT2AAKR1B10
SCHEMBL490548 0.81 MEN1 (0.48) POLBALOX5KDM4EALDH1A1MEN1
SCHEMBL490664 0.81 CAPN1 (0.52) POLBALOX5TTRMEN1KMT2A
SCHEMBL490578 0.81 ALOX5 (0.62) POLBSMN1; SMN2ALOX5KDM4ETTR
SCHEMBL490730 0.80 ALDH1A1 (0.48) SMN1; SMN2KDM4EALDH1A1TAAR1PKM
SCHEMBL490927 0.80 LDHA (0.65) ALOX5TTRKMT2A

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-1871339-A1 UV PROTECTION Merck Patent GmbH (DE) 2008-01-02 EP disclosed
EP-1871735-A1 ANTIOXIDANTS Merck Patent GmbH (DE) 2008-01-02 EP disclosed
WO-2006111233-A1 ANTIOXIDANTS MERCK PATENT GMBH (DE) 2006-10-26 WO disclosed
WO-2006111234-A1 UV PROTECTION 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 POLB 259/4885SMN1; SMN2 1624/4885ALOX5 180/4885
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 POLB 236/4885SMN1; SMN2 4479/4885ALOX5 905/4885

“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.