SCHEMBL4806822

SCHEMBL4806822

CC(C)(C)c1cc(O)cc(C(C)(C)C)c1CCCC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 3/20 0.41
RXRA P19793 2/20 0.41
RXRB P28702 2/20 0.41
RXRG P48443 2/20 0.41
HDAC3 O15379 1/20 0.39
MAPK1 P28482 1/20 0.39
ADRA1A P35348 1/20 0.39
HDAC4 P56524 1/20 0.39
SLC6A3 Q01959 1/20 0.39
HDAC1 Q13547 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL2254157 0.89 KDM4E (0.42) VCAM1RXRARXRBRXRGNPSR1
Adipic Acid SCHEMBL7993766 0.82 VCAM1 (0.55) VCAM1MAPK1SMN1; SMN2NPSR1GLRA3
Adipic Acid SCHEMBL28216161 0.82 VCAM1 (0.55) VCAM1MAPK1SMN1; SMN2NPSR1GLRA3
SCHEMBL28353915 0.79 GAA (0.41) SMN1; SMN2GLRA3GLRBKDM4EALDH1A1
SCHEMBL28654562 0.79 ALDH1A1 (0.38) SLC6A3SMN1; SMN2GLRA3GLRBKDM4E
SCHEMBL1815047 0.78 GLRA3 (0.42) RXRARXRBRXRGSMN1; SMN2GLRA3
SCHEMBL30640814 0.78 HTT (0.47) MAPK1SMN1; SMN2NPSR1KDM4EALDH1A1
SCHEMBL1278250 0.76 GAA (0.58) VCAM1HDAC3MAPK1ADRA1AHDAC4
SCHEMBL5038246 0.76 KDM4E (0.46) SMN1; SMN2KDM4EALDH1A1CYP3A4HSD17B10
Stearic Acid SCHEMBL6938564 0.76 GPR84 (0.53) VCAM1HDAC11ALDH1A1ESR1HSD17B10

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7339003-B2 Antioxidants and antioxidant boosters capable of producing hydroperoxyl radicals EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2008-03-04 US disclosed
US-20050145831-A1 Antioxidants and antioxidant boosters capable of producing hydroperoxyl radicals ALDRICH HAVEN S (US) 2005-07-07 US disclosed
US-6689724-B2 HIGH NUMBER OF HYDROXYL POLYOL ESTERS ANTIOXIDANTS WHEN GRAFTED ONTO MINERAL OILS, POLYOL ESTERS, POLYALPHA OLEFIN BASE STOCKS, FUELS, OLIGOMERS AND POLYMERS CAN INCREASE THE OXIDATION STABILITY; LUBRICANTS; OIL ADDITIVES EXXONMOBIL RESEARCH AND ENGINEERING COMPANY 2004-02-10 US disclosed
WO-2002092734-A1 ANTIOXIDANTS AND ANTIOXIDANT BOOSTERS CAPABLE OF PRODUCING HYDROPEROXYL RADICALS EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2002-11-21 WO disclosed
US-20020082174-A1 Antioxidants and antioxidant boosters capable of producing hydroperoxyl radicals EXXONMOBIL RESEARCH & ENGINEERING CO. 2002-06-27 US disclosed
EP-0946689-A4 ANTIOXIDANTS AND ANTIOXIDANT BOOSTERS CAPABLE OF PRODUCING HYDROPEROXYL RADICALS EXXON RESEARCH ENGINEERING CO (US) 2000-11-22 EP disclosed
EP-0946689-A1 ANTIOXIDANTS AND ANTIOXIDANT BOOSTERS CAPABLE OF PRODUCING HYDROPEROXYL RADICALS EXXON RESEARCH AND ENGINEERING COMPANY (US) 1999-10-06 EP disclosed
WO-1998011181-A1 ANTIOXIDANTS AND ANTIOXIDANT BOOSTERS CAPABLE OF PRODUCING HYDROPEROXYL RADICALS EXXON RESEARCH AND ENGINEERING COMPANY (US) 1998-03-19 WO disclosed
EP-0393239-A2 Polysiloxanes with pendant sterically hindered phenol moiety connected to the silicon atom via a carbonyloxy-containing link UNION CARBIDE CORPORATION (US) 1990-10-24 EP disclosed
EP-0390153-A2 Polymer compositions stabilized with polydialkylsiloxanes containing siloxy units having certain defined pendant sterically hindered phenol moieties UNION CARBIDE CHEMICALS AND PLASTICS COMPANY, INC. (US) 1990-10-03 EP disclosed
US-4960810-A Polymer compositions stabilized with polydialkylsiloxanes containing siloxy units having certain defined pendant sterically hindered phenol moieties UNION CARBIDE CHEMICALS AND PLASTICS COMPANY INC. (US) 1990-10-02 US disclosed
US-4879378-A STABILIZERS UNION CARBIDE CHEMICALS AND PLASTICS COMPANY INC. (US) 1989-11-07 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 (1 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-20020082174-A1 Antioxidants and antioxidant boosters capable of producing hydroperoxyl radicals GPX4, LPO, CAT VCAM1 4006/4885RXRA 1908/4885RXRB 2131/4885

“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.