SCHEMBL490906

SCHEMBL490906

COc1ccc(OC)c(CC(C(=O)O)C(=O)O)c1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.66
HTR2A P28223 1/20 0.61
LDHA P00338 2/20 0.57
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
TSPO P30536 1/20 0.52
IDO1 P14902 2/20 0.51
ADRA1A P35348 1/20 0.51
TAAR1 Q96RJ0 1/20 0.51
MTNR1A P48039 1/20 0.51
MTNR1B P49286 1/20 0.51
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
HIF1A Q16665 1/20 0.49

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
SCHEMBL8532221 0.87 HSD17B10 (0.62) HSD17B10HTR2AMEN1KMT2ATSPO
SCHEMBL490752 0.87 LDHA (0.57) HSD17B10LDHAMEN1KMT2ACYP1A2
SCHEMBL30861230 0.86 HTR2A (0.65) HSD17B10HTR2AMEN1KMT2ATSPO
SCHEMBL5285095 0.86 HTR2A (0.65) HSD17B10HTR2AMEN1KMT2ATSPO
SCHEMBL490808 0.84 HSD17B10 (0.55) HSD17B10HTR2AMEN1KMT2AIDO1
SCHEMBL27002090 0.84 HSD17B10 (0.59) HSD17B10HTR2ACYP1A2CYP2C9
Hydrochloric Acid SCHEMBL31327595 0.84 HTR2A (0.63) HSD17B10HTR2AMEN1KMT2ATSPO
SCHEMBL3660479 0.84 HSD17B10 (0.62) HSD17B10HTR2AMEN1KMT2AIDO1
SCHEMBL7823025 0.82 LDHA (0.58) HTR2ALDHATAAR1CYP1A2
SCHEMBL11017578 0.82 LDHA (0.55) HSD17B10HTR2ALDHAMEN1KMT2A

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
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
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
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 HSD17B10 364/4885HTR2A 4534/4885LDHA 612/4885
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 1557/4885LDHA 843/4885

“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.