SCHEMBL39274

SCHEMBL39274

CCCCC(=[NH+][O-])c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CES2 O00748 5/20 0.55
CES1 P23141 5/20 0.55
PTGS2 P35354 4/20 0.52
ESR1 P03372 3/20 0.49
ALDH1A1 P00352 1/20 0.41
HSD17B3 P37058 1/20 0.39
NAAA Q02083 1/20 0.39
ESR2 Q92731 1/20 0.38

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 0.93 CES2 (0.57) CES2CES1PTGS2ESR1HSD17B3
SCHEMBL3734266 0.85 HSD17B3 (0.56) PTGS2ESR1ALDH1A1HSD17B3ESR2
SCHEMBL27798133 0.81 HTR7 (0.56) CES2CES1PTGS2ESR1HSD17B3
SCHEMBL27798187 0.81 HDAC3 (0.41) CES2CES1ESR1ALDH1A1HSD17B3
SCHEMBL4712635 0.81 ESR2 (0.42) CES2CES1ESR1ESR2
SCHEMBL7860414 0.81 LMNA (0.51) PTGS2ALDH1A1
SCHEMBL27819250 0.80 HDAC1 (0.47) CES2CES1PTGS2ESR1ALDH1A1
SCHEMBL27819249 0.79 USP5 (0.40) CES2CES1ESR1HSD17B3ESR2
SCHEMBL27819285 0.79 ABAT (0.39) CES2CES1ESR1ALDH1A1HSD17B3
SCHEMBL28026476 0.77 LOXL2 (0.45) CES2CES1PTGS2ESR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117630081-A Detection method of water free radical cations 电子科技大学 2024-03-01 CN claimed
CN-117480654-A Secondary battery, battery module, battery pack, and electricity device 宁德时代新能源科技股份有限公司 2024-01-30 CN claimed
CN-116941085-A Secondary battery, battery module, battery pack, and electricity device 宁德时代新能源科技股份有限公司 2023-10-24 CN claimed
EP-3340972-A1 METHOD OF TRANSPORTING AN AGENT ACROSS BLOOD-BRAIN, BLOOD-COCHLEAR OR BLOOD-CEREBROSPINAL FLUID BARRIER Oklahoma Medical Research Foundation (US) 2018-07-04 EP claimed
EP-2056783-B1 HAIR CARE COMPOSITIONS THAT CAN INCREASE THE APPEARANCE OF THICKER AND FULLER HAIR PROCTER & GAMBLE (US) 2017-11-22 EP claimed
WO-2017048778-A1 METHOD OF TRANSPORTING AN AGENT ACROSS BLOOD-BRAIN, BLOOD-COCHLEAR OR BLOOD-CEREBROSPINAL FLUID BARRIER OKLAHOMA MEDICAL RESEARCH FOUNDATION (US) 2017-03-23 WO claimed
CN-105796602-A Treatment of stroke using isolated placental cells 人类起源公司 2016-07-27 CN claimed
EP-2574328-A2 Hair care compositions, methods, and articles of commerce that can increase the appearance of thicker and fuller hair The Procter and Gamble Company (US) 2013-04-03 EP claimed
US-20120258185-A1 HAIR CARE COMPOSITIONS, METHODS, AND ARTICLES OF COMMERCE THAT CAN INCREASE THE APPEARANCE OF THICKER AND FULLER HAIR OBLONG JOHN ERICH (US) 2012-10-11 US claimed
CN-102186971-A Treatment of stroke using isolated placental cells ANTHROGENESIS CORP 2011-09-14 CN claimed
US-RE35213-E Phenylbutyl nitrone compositions and methods for prevention of gastric ulceration OKLAHOMA MEDICAL RESEARCH FOUNDATION (US) 1996-04-16 US claimed
US-RE35112-E Administering phenyl butyl nitrone or derivative in carrier in dosage to prevent or reverse oxidative central nervous system tissue damage OKLAHOMA MEDICAL RESEARCH FOUNDATION (US) 1995-12-05 US claimed
EP-0496796-B1 METHOD AND COMPOSITIONS FOR INHIBITION OF DISORDERS ASSOCIATED WITH OXIDATIVE DAMAGE OKLAHOMA MED RES FOUND (US) 1994-08-31 EP claimed
EP-0518951-A4 PHENYL BUTYL NITRONE COMPOSITIONS FOR PREVENTION OF GASTRIC ULCERATION 1993-02-24 EP claimed
EP-0518951-A1 PHENYL BUTYL NITRONE COMPOSITIONS FOR PREVENTION OF GASTRIC ULCERATION Oklahoma Medical Research Foundation (US) 1992-12-23 EP claimed
EP-0496796-A1 METHOD AND COMPOSITIONS FOR INHIBITION OF DISORDERS ASSOCIATED WITH OXIDATIVE DAMAGE. OKLAHOMA MED RES FOUND (US) 1992-08-05 EP claimed
WO-1991013618-A1 PHENYL BUTYL NITRONE COMPOSITIONS FOR PREVENTION OF GASTRIC ULCERATION OKLAHOMA MEDICAL RESEARCH FOUNDATION (US) 1991-09-19 WO claimed
US-5036097-A Antiinflammatory agents/non-steriodal OKLAHOMA MEDICAL RESEARCH FOUNDATION (US) 1991-07-30 US claimed
US-5025032-A For ischemia or inflammation of brain or nervous system OKLAHOMA MEDICAL RESEARCH FOUNDATION (US) 1991-06-18 US claimed
WO-1991005552-A1 METHOD AND COMPOSITIONS FOR INHIBITION OF DISORDERS ASSOCIATED WITH OXIDATIVE DAMAGE OKLAHOMA MEDICAL RESEARCH FOUNDATION (US) 1991-05-02 WO claimed

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-20120258185-A1 HAIR CARE COMPOSITIONS, METHODS, AND ARTICLES OF COMMERCE THAT CAN INCREASE THE APPEARANCE OF THICKER AND FULLER HAIR SHH, FSCN1, CUTA CES2 1690/4885CES1 3525/4885PTGS2 3355/4885

“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.