SCHEMBL4712634

SCHEMBL4712634

[O-][N+](=Cc1ccccc1)CCCCO

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
G6PD P11413 2/20 0.41
TDP1 Q9NUW8 1/20 0.40
FBP1 P09467 4/20 0.38
ALDH1A1 P00352 7/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 5/20 0.37
ALOX15 P16050 2/20 0.37
TSHR P16473 1/20 0.37
RECQL P46063 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
PRMT1 Q99873 1/20 0.37
HAO1 Q9UJM8 1/20 0.33
KDM4E B2RXH2 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL14575602 0.88 G6PD (0.41) G6PDTDP1FBP1ALDH1A1KMT2A
SCHEMBL14575603 0.88 G6PD (0.41) G6PDTDP1FBP1ALDH1A1KMT2A
SCHEMBL264463 0.79 G6PD (0.38) G6PDTDP1FBP1ALDH1A1KMT2A
SCHEMBL39273 0.79 G6PD (0.38) G6PDTDP1FBP1ALDH1A1KMT2A
SCHEMBL14617615 0.73 G6PD (0.45) G6PDTDP1FBP1ALDH1A1KMT2A
SCHEMBL18712230 0.73 LTB4R (0.39) TDP1FBP1ALDH1A1KMT2APRMT1
SCHEMBL1404270 0.70 G6PD (0.42) G6PDTDP1FBP1ALDH1A1KMT2A
SCHEMBL7258762 0.69 ALDH1A1 (0.43) G6PDTDP1FBP1ALDH1A1KMT2A
SCHEMBL7258759 0.69 ALDH1A1 (0.43) G6PDTDP1FBP1ALDH1A1KMT2A
SCHEMBL268060 0.68 BCHE (0.41) G6PDTDP1FBP1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-6107315-A Method of treatment of conditions associated with oxidative tissue damage OKLAHOMA MEDICAL RESEARCH FOUNDATION (US) 2000-08-22 US disclosed
EP-0736004-B1 (2,4-DISULFOPHENYL) N-TERTIARY BUTYL NITRONE, ITS SALTS, AND THEIR USE AS PHARMACEUTICAL RADICAL TRAPPING AGENTS OKLAHOMA MED RES FOUND (US) 2000-05-10 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 G6PD 651/4885TDP1 279/4885FBP1 1971/4885
US-20050107366-A1 Spin trapping pharmaceutical compositions and methods for use thereof PPOX, TXN2, TXN G6PD 651/4885TDP1 279/4885FBP1 1971/4885
US-20070032453-A1 ADJUVANT CHEMOTHERAPY FOR ANAPLASTIC GLIOMAS MGMT, NOS3, NNMT G6PD 153/4885TDP1 1105/4885FBP1 2816/4885

“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.