SCHEMBL4712635

SCHEMBL4712635

[O-][NH+]=C(CCCCO)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
CES2 O00748 4/20 0.37
CES1 P23141 4/20 0.37
HDAC1 Q13547 5/20 0.36
HDAC8 Q9BY41 5/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
ESR1 P03372 1/20 0.35
ESRRG P62508 1/20 0.35

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
SCHEMBL8412560 0.81 CES2 (0.57) CES2CES1ESR1
SCHEMBL39274 0.81 CES2 (0.55) ESR2CES2CES1ESR1
SCHEMBL16795568 0.69 MAOA (0.45) ESR2L3MBTL1TDP1LMNAMAPT
SCHEMBL95198 0.69 TDP1 (0.79) L3MBTL1TDP1LMNAMAPTCES1
SCHEMBL17296071 0.69 CES1 (0.48) L3MBTL1MAPTCES2CES1HDAC8
SCHEMBL96371 0.68 TDP1 (0.83) L3MBTL1TDP1LMNAMAPTCES1
SCHEMBL13316192 0.68 L3MBTL1 (0.47) ESR2L3MBTL1TDP1LMNAMAPT
SCHEMBL98294 0.68 TDP1 (0.83) L3MBTL1TDP1LMNAMAPTCES1
SCHEMBL8214391 0.68 TDP1 (0.83) L3MBTL1TDP1LMNAMAPTCES1
Phenol SCHEMBL8333389 0.67 CA2 (0.65) ESR2TDP1LMNAMAPTCES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110392568-A Preparation of N-acetylcystein and application thereof 耳科制药公司 2019-10-29 CN disclosed
CN-110248650-A METHODS FOR ENHANCING SYNAPTOGENESIS AND NEURITOGENESIS 霍夫耳科研究所 2019-09-17 CN disclosed
EP-1922075-A2 ADJUVANT CHEMOTHERAPY FOR ANAPLASTIC GLIOMAS Oklahoma Medical Research Foundation (US) 2008-05-21 EP disclosed
WO-2007019065-A2 ADJUVANT CHEMOTHERAPY FOR ANAPLASTIC GLIOMAS OKLAHOMA MEDICAL RESEARCH FOUNDATION (US) 2007-02-15 WO disclosed
US-20070032453-A1 ADJUVANT CHEMOTHERAPY FOR ANAPLASTIC GLIOMAS OKLAHOMA MEDICAL RESEARCH FOUNDATION 2007-02-08 US disclosed
US-20050272724-A1 Spin trapping pharmaceutical compositions and methods for use thereof CARNEY JOHN M 2005-12-08 US disclosed
US-20050107366-A1 Spin trapping pharmaceutical compositions and methods for use thereof CARNEY JOHN M (US) 2005-05-19 US disclosed
US-6403627-B1 FOR TREATMENT OF DYSFUNCTIONS AND DISEASE CONDITIONS ARISING FROM OXIDATIVE DAMAGE; PHENYL N-TERT-BUTYLNITRONE DERIVATIVES OKLAHOMA MEDICAL RESEARCH FOUNDATION 2002-06-11 US disclosed
EP-0590072-B1 USE OF SPIN TRAPPING FOR THE TREATMENT OF DISEASES ASSOCIATED WITH OXIDATION OF LIPIDS AND PROTEINS OKLAHOMA MED RES FOUND (US) 2001-12-05 EP disclosed
EP-0949915-A4 NITRONE FREE RADICAL TRAP TREATMENT OF DEMENTIA ASSOCIATED WITH AIDS VIRUS (HIV-1) INFECTION OKLAHOMA MED RES FOUND (US) 2001-07-04 EP disclosed
EP-0496796-B1 METHOD AND COMPOSITIONS FOR INHIBITION OF DISORDERS ASSOCIATED WITH OXIDATIVE DAMAGE OKLAHOMA MED RES FOUND (US) 1994-08-31 EP disclosed
EP-0590072-A1 USE OF SPIN TRAPPING FOR THE TREATMENT OF DISEASES ASSOCIATED WITH OXIDATION OF LIPIDS AND PROTEINS Oklahoma Medical Research Foundation (US) 1994-04-06 EP disclosed
EP-0518951-A4 PHENYL BUTYL NITRONE COMPOSITIONS FOR PREVENTION OF GASTRIC ULCERATION 1993-02-24 EP disclosed
EP-0518951-A1 PHENYL BUTYL NITRONE COMPOSITIONS FOR PREVENTION OF GASTRIC ULCERATION Oklahoma Medical Research Foundation (US) 1992-12-23 EP disclosed
WO-1992022290-A1 USE OF SPIN TRAPPING FOR THE TREATMENT OF DISEASES ASSOCIATED WITH OXIDATION OF LIPIDS AND PROTEINS OKLAHOMA MEDICAL RESEARCH FOUNDATION (US) 1992-12-23 WO disclosed
EP-0496796-A1 METHOD AND COMPOSITIONS FOR INHIBITION OF DISORDERS ASSOCIATED WITH OXIDATIVE DAMAGE. OKLAHOMA MED RES FOUND (US) 1992-08-05 EP disclosed
WO-1991013618-A1 PHENYL BUTYL NITRONE COMPOSITIONS FOR PREVENTION OF GASTRIC ULCERATION OKLAHOMA MEDICAL RESEARCH FOUNDATION (US) 1991-09-19 WO disclosed
US-5036097-A Antiinflammatory agents/non-steriodal OKLAHOMA MEDICAL RESEARCH FOUNDATION (US) 1991-07-30 US disclosed
US-5025032-A For ischemia or inflammation of brain or nervous system OKLAHOMA MEDICAL RESEARCH FOUNDATION (US) 1991-06-18 US disclosed
WO-1991005552-A1 METHOD AND COMPOSITIONS FOR INHIBITION OF DISORDERS ASSOCIATED WITH OXIDATIVE DAMAGE OKLAHOMA MEDICAL RESEARCH FOUNDATION (US) 1991-05-02 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 (3 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-20050272724-A1 Spin trapping pharmaceutical compositions and methods for use thereof PPOX, TXN2, TXN ESR2 2442/4885L3MBTL1 2804/4885TDP1 279/4885
US-20050107366-A1 Spin trapping pharmaceutical compositions and methods for use thereof PPOX, TXN2, TXN ESR2 2442/4885L3MBTL1 2804/4885TDP1 279/4885
US-20070032453-A1 ADJUVANT CHEMOTHERAPY FOR ANAPLASTIC GLIOMAS MGMT, NOS3, NNMT ESR2 2169/4885L3MBTL1 3793/4885TDP1 1105/4885

“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.