SCHEMBL490808

SCHEMBL490808

CCOC(=O)C(Cc1cc(OC)ccc1OC)C(=O)OCC

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.55
HTR2A P28223 1/20 0.55
ALDH1A1 P00352 3/20 0.53
TSHR P16473 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
LMNA P02545 1/20 0.52
MAPK1 P28482 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
ADRA1A P35348 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
IDO1 P14902 1/20 0.46

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
SCHEMBL8651065 0.93 HSD17B10 (0.51) HSD17B10HTR2AALDH1A1TSHRSMN1; SMN2
SCHEMBL491054 0.88 ALDH1A1 (0.51) HSD17B10ALDH1A1TSHRSMN1; SMN2L3MBTL1
SCHEMBL27002119 0.86 HSD17B10 (0.56) HSD17B10HTR2AALDH1A1L3MBTL1LMNA
SCHEMBL490906 0.84 HSD17B10 (0.66) HSD17B10HTR2AMEN1KMT2AMTNR1A
SCHEMBL8327445 0.84 ALDH1A1 (0.48) HSD17B10ALDH1A1TSHRSMN1; SMN2L3MBTL1
SCHEMBL1186888 0.84 ALDH1A1 (0.52) ALDH1A1TSHRSMN1; SMN2LMNAMEN1
SCHEMBL7061302 0.82 MTNR1A (0.51) HSD17B10ALDH1A1TSHRL3MBTL1LMNA
SCHEMBL11386800 0.82 SMN1; SMN2 (0.59) ALDH1A1TSHRSMN1; SMN2L3MBTL1LMNA
SCHEMBL490647 0.81 ALDH1A1 (0.51) HTR2AALDH1A1TSHRSMN1; SMN2TAAR1
SCHEMBL491115 0.81 CYP1A2 (0.48) ALDH1A1TSHRSMN1; SMN2L3MBTL1LMNA

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 8 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
CN-101163659-B Antioxidants MERCK PATENT GMBH 2012-09-05 CN 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
CN-101163659-A Antioxidants MERCK PATENT GMBH (DE) 2008-04-16 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 HSD17B10 364/4885HTR2A 4534/4885ALDH1A1 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 HSD17B10 699/4885HTR2A 1557/4885ALDH1A1 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.