SCHEMBL4776164

SCHEMBL4776164

CC(N)OC(=O)C(C)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 3/20 0.40
CA2 P00918 3/20 0.40
CA1 P00915 2/20 0.40
ALDH1A1 P00352 2/20 0.39
GAA P10253 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 1/20 0.39
TYR P14679 1/20 0.39
GLRA3 O75311 1/20 0.39
GLRB P48167 1/20 0.39
GPR55 Q9Y2T6 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
MEN1 O00255 1/20 0.37
GALR3 O60755 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 1/20 0.36

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
SCHEMBL4784134 0.87 TDP1 (0.44) HMGCRCA2CA1ALDH1A1GAA
SCHEMBL4453160 0.84 CA2 (0.40) HMGCRCA2CA1ALDH1A1GAA
SCHEMBL490766 0.82 CA2 (0.47) HMGCRCA2CA1ALDH1A1GAA
SCHEMBL8818659 0.81 ALDH1A1 (0.38) HMGCRCA2CA1ALDH1A1GAA
SCHEMBL6056065 0.81 CA2 (0.42) HMGCRCA2CA1ALDH1A1GAA
SCHEMBL4359381 0.81 HMGCR (0.38) HMGCRCA2CA1ALDH1A1GAA
SCHEMBL9340528 0.80 CA2 (0.48) HMGCRCA2CA1ALDH1A1GAA
SCHEMBL29020567 0.79 CA2 (0.49) HMGCRCA2CA1ALDH1A1GAA
SCHEMBL490322 0.79 HMGCR (0.44) HMGCRCA2CA1ALDH1A1GAA
SCHEMBL30559748 0.79 HMGCR (0.44) HMGCRCA2CA1ALDH1A1GAA

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120328541-A1 Anti-radical agents BASCHONG WERNER (CH) 2012-12-27 US disclosed
US-8216596-B2 4-Hydroxy-1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidine, citric acid and a body care product; hindered amine salt compounds provide outstanding protection against light-induced fading BASF SE (DE) 2012-07-10 US disclosed
US-20120164162-A1 METHODS IN CELL CULTURES, AND RELATED INVENTIONS, EMPLOYING CERTAIN ADDITIVES BASF SE (DE) 2012-06-28 US disclosed
US-20120121524-A1 PHOTO-STABLE COSMETIC OR DERMATOLOGICAL COMPOSITIONS MUELLER STEFAN (DE) 2012-05-17 US disclosed
US-8148318-B2 Home or fabric care compositions comprising certain dye-polymer complexes BASF SE (DE) 2012-04-03 US disclosed
US-8119107-B2 Photo-stable cosmetic or dermatological compositions BASF SE (DE) 2012-02-21 US disclosed
US-20100143272-A1 Photo-stable cosmetic or dermatological compositions CIBA SPECIALTY CHEMICALS CORPORATION 2010-06-10 US disclosed
US-7700078-B2 Stabilization of body-care and household products CIBA SPECIALTY CHEMICALS CORPORATION (US) 2010-04-20 US disclosed
US-7632795-B2 Stabilized body care products, household products, textiles and fabrics CIBA SPECIALTY CHEMICALS CORPORATION (US) 2009-12-15 US disclosed
US-7618618-B2 Stabilized body care products, household products, textiles and fabrics CIBA SPECIALTY CHEMICALS CORP. (US) 2009-11-17 US disclosed
US-20090060849-A1 Personal care compositions comprising certain dye-polymer complexes BASF SE (DE) 2009-03-05 US disclosed
US-20090062171-A1 Home or fabric care compositions comprising certain dye-polymer complexes BASF SE (DE) 2009-03-05 US disclosed
US-20080305055-A1 Anti-Radical Agents CIBA CORPORATION 2008-12-11 US disclosed
US-20080279794-A1 Use of halogenated hydroxydiphenyl ether compounds for the treatment of the skin BASCHONG WERNER 2008-11-13 US disclosed
US-20080260667-A1 Use of halogenated hydroxydiphenyl ether compounds for the treatment of the skin BASCHONG WERNER 2008-10-23 US disclosed
US-20080253981-A1 Stabilized body care products, household products, textiles and fabrics LUPIA JOSEPH A 2008-10-16 US disclosed
US-7425320-B2 Use of guaiol for treating the skin CIBA SPECIALTY CHEMICALS CORP (US) 2008-09-16 US disclosed
US-7410940-B2 Antioxidants for the stabilization of surfactant formulations CIBA SPECIALTY CHEMICALS CORP. (US) 2008-08-12 US disclosed
US-20080108540-A1 Antioxidants for the stabilization of formulations comprising surfactants HUEGLIN DIETMAR 2008-05-08 US disclosed
US-20080009550-A1 Stabilized body care products, household products, textiles and fabrics LUPIA JOSEPH A 2008-01-10 US 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 (9 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-20120121524-A1 PHOTO-STABLE COSMETIC OR DERMATOLOGICAL COMPOSITIONS NISCH, CUTA, MITF HMGCR 530/4885CA2 2937/4885CA1 4458/4885
US-20120328541-A1 Anti-radical agents NOS3, GSTO1, TXN2 HMGCR 1280/4885CA2 454/4885CA1 1327/4885
US-20080253981-A1 Stabilized body care products, household products, textiles and fabrics DSC1, CUTA, DSG1 HMGCR 4363/4885CA2 3470/4885CA1 3166/4885
US-20090060849-A1 Personal care compositions comprising certain dye-polymer complexes ERCC5, XRCC5, ERCC1 HMGCR 1022/4885CA2 2649/4885CA1 3491/4885
US-20080305055-A1 Anti-Radical Agents NOS3, GSTO1, PTGS1 HMGCR 1491/4885CA2 356/4885CA1 1070/4885
US-20120164162-A1 METHODS IN CELL CULTURES, AND RELATED INVENTIONS, EMPLOYING CERTAIN ADDITIVES BBOX1, NEFM, NQO1 HMGCR 1140/4885CA2 633/4885CA1 2395/4885
US-20100143272-A1 Photo-stable cosmetic or dermatological compositions DBF4, CUTA, ARSA HMGCR 3103/4885CA2 1825/4885CA1 2514/4885
US-20080260667-A1 Use of halogenated hydroxydiphenyl ether compounds for the treatment of the skin MC1R, TYR, MC3R HMGCR 639/4885CA2 1991/4885CA1 4302/4885
US-20080279794-A1 Use of halogenated hydroxydiphenyl ether compounds for the treatment of the skin MC1R, TYR, MC3R HMGCR 639/4885CA2 1991/4885CA1 4302/4885

“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.