SCHEMBL7823754

SCHEMBL7823754

O=C(O)c1ccc2c(c1)C(=O)c1cc([N+](=O)[O-])ccc1-2

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 5/20 0.66
S100A4 P26447 2/20 0.66
CA9 Q16790 2/20 0.59
CA12 O43570 1/20 0.59
BCHE P06276 1/20 0.58
ACHE P22303 1/20 0.58
CES1 P23141 1/20 0.58
TDP1 Q9NUW8 3/20 0.58
TTR P02766 1/20 0.57
CYP1A2 P05177 1/20 0.56
HIF1A Q16665 1/20 0.56
HSD17B10 Q99714 1/20 0.56
TP53 P04637 1/20 0.56
SRD5A2 P31213 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA7 P43166 1/20 0.53
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
ERO1A Q96HE7 1/20 0.49

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
SCHEMBL30349970 0.84 PTPRC (0.91) PTPRCS100A4CA9BCHEACHE
SCHEMBL1237207 0.84 PTPRC (0.91) PTPRCS100A4CA9BCHEACHE
SCHEMBL11638272 0.84 CHEK1 (0.52) PTPRCS100A4CA9CA12TDP1
SCHEMBL600296 0.82 TTR (0.80) PTPRCTDP1TTRMEN1KMT2A
SCHEMBL31086890 0.82 TTR (0.80) PTPRCTDP1TTRMEN1KMT2A
SCHEMBL30412724 0.82 TTR (0.64) PTPRCTDP1TTRCYP1A2HIF1A
SCHEMBL19302395 0.82 TTR (0.64) PTPRCTDP1TTRCYP1A2HIF1A
SCHEMBL8104719 0.81 PTPRC (0.84) PTPRCS100A4CA9BCHEACHE
SCHEMBL30375977 0.81 PTPRC (0.84) PTPRCS100A4CA9BCHEACHE
SCHEMBL11632427 0.81 CHEK1 (0.63) PTPRCS100A4CA9CA12TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11591294-B2 Fluorenone/fluorenol derivatives for aqueous redox flow batteries BATTELLE MEMORIAL INSTITUTE (US) 2023-02-28 US claimed
US-20210147347-A1 FLUORENONE/FLUORENOL DERIVATIVES FOR AQUEOUS REDOX FLOW BATTERIES BATTELLE MEMORIAL INSTITUTE (US) 2021-05-20 US claimed
EP-0147226-B1 VISIBLE LIGHT ABSORBING PEROXY ESTERS LOCTITE CORPORATION (US) 1989-11-23 EP claimed
US-4604295-A VISIBLE AND UV PHOTOINITIATORS FOR CURING ACRYLIC MONOMERS AND PREPOLYMERS LOCTITE CORPORATION (US) 1986-08-05 US claimed
EP-0147226-A2 Visible light absorbing peroxy esters LOCTITE CORPORATION (US) 1985-07-03 EP claimed
US-11591294-B2 Fluorenone/fluorenol derivatives for aqueous redox flow batteries BATTELLE MEMORIAL INSTITUTE (US) 2023-02-28 US disclosed
US-20210147347-A1 FLUORENONE/FLUORENOL DERIVATIVES FOR AQUEOUS REDOX FLOW BATTERIES BATTELLE MEMORIAL INSTITUTE (US) 2021-05-20 US disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed
EP-0147226-B1 VISIBLE LIGHT ABSORBING PEROXY ESTERS LOCTITE CORPORATION (US) 1989-11-23 EP disclosed
US-4604295-A VISIBLE AND UV PHOTOINITIATORS FOR CURING ACRYLIC MONOMERS AND PREPOLYMERS LOCTITE CORPORATION (US) 1986-08-05 US disclosed
EP-0147226-A2 Visible light absorbing peroxy esters LOCTITE CORPORATION (US) 1985-07-03 EP disclosed
US-3939276-A ANTHRAQUINONES, ASTHMA, ANTIALLERGENS BURROUGHS WELLCOME CO. (US) 1976-02-17 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 (2 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-11591294-B2 Fluorenone/fluorenol derivatives for aqueous redox flow batteries NDUFV1, SCO2, NDUFS4 PTPRC 3168/4885S100A4 390/4885CA9 892/4885
US-20210147347-A1 FLUORENONE/FLUORENOL DERIVATIVES FOR AQUEOUS REDOX FLOW BATTERIES NDUFV1, SCO2, NDUFS4 PTPRC 3168/4885S100A4 390/4885CA9 892/4885

“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.