SCHEMBL490337

SCHEMBL490337

CCOC(=O)CCc1cccc(OC)c1OC

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.57
CYP4A11 Q02928 3/20 0.57
LMNA P02545 2/20 0.52
MAPT P10636 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
ALDH1A1 P00352 3/20 0.51
GAA P10253 1/20 0.51
KDM4E B2RXH2 2/20 0.51
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA14 Q9ULX7 1/20 0.48
CTSG P08311 1/20 0.46
CMA1 P23946 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
POLB P06746 1/20 0.44
ABCB1 P08183 1/20 0.44

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
SCHEMBL21715380 0.89 LMNA (0.48) CYP4F2CYP4A11LMNAMAPTSMN1; SMN2
SCHEMBL30753435 0.89 LMNA (0.48) CYP4F2CYP4A11LMNAMAPTSMN1; SMN2
SCHEMBL3948116 0.87 CYP4F2 (0.59) CYP4F2CYP4A11LMNAMAPTSMN1; SMN2
SCHEMBL14874345 0.87 CYP4F2 (0.59) CYP4F2CYP4A11LMNAMAPTSMN1; SMN2
SCHEMBL490608 0.87 CYP4F2 (0.51) CYP4F2CYP4A11SMN1; SMN2ALDH1A1GAA
SCHEMBL5379790 0.87 CYP4F2 (0.59) CYP4F2CYP4A11MAPTSMN1; SMN2ALDH1A1
SCHEMBL7687145 0.86 CYP4F2 (0.67) CYP4F2CYP4A11SMN1; SMN2ALDH1A1GAA
SCHEMBL5120475 0.85 CYP4F2 (0.57) CYP4F2CYP4A11LMNAMAPTALDH1A1
SCHEMBL6366424 0.85 LMNA (0.54) LMNAMAPTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL16318871 0.84 CYP4F2 (0.56) CYP4F2CYP4A11SMN1; SMN2ALDH1A1GAA

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 15 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-101203278-A Ultraviolet protection MERCK PATENT GMBH (DE) 2008-06-18 CN disclosed
CN-101163659-A Antioxidants MERCK PATENT GMBH (DE) 2008-04-16 CN disclosed
EP-1871735-A1 ANTIOXIDANTS Merck Patent GmbH (DE) 2008-01-02 EP disclosed
EP-1871339-A1 UV PROTECTION 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
US-6262064-B1 AN ACTAHYDROBENZO(F)QUINOLINE-BASED COMPOUND THE BOARD OF GOVERNORS FOR HIGHER EDUCATION 2001-07-17 US disclosed
US-5863928-A TREATMENT OF PSYCHOTIC DISORDERS, PARKINSON'S DISEASE; SEDATIVES THE BOARD OF GOVERNORS FOR HIGHER EDUCATION THE STATE OF RHODE ISLAND AND PROVIDENCE PLANTATION. (US) 1999-01-26 US disclosed
EP-0729458-A1 OCTAHYDROBENZO[f]QUINOLINE-BASED RECEPTOR AGONISTS AND ANTAGONISTS THE BOARD OF GOVERNORS FOR HIGHER EDUCATION STATE OF RHODE ISLAND AND PROVIDENCE PLANTATIONS (US) 1996-09-04 EP disclosed
WO-1995014006-A1 OCTAHYDROBENZO[f]QUINOLINE-BASED RECEPTOR AGONISTS AND ANTAGONISTS THE BOARD OF GOVERNORS FOR HIGHER EDUCATION, STATE OF RHODE ISLAND AND PROVIDENCE PLANTATIONS (US) 1995-05-26 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 CYP4F2 287/4885CYP4A11 486/4885LMNA 1949/4885
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 CYP4F2 1045/4885CYP4A11 256/4885LMNA 565/4885

“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.