SCHEMBL6259754

SCHEMBL6259754

CCOP(=O)(Oc1ccc([N+](=O)[O-])cc1)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.94

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.94
CA2 P00918 2/20 0.94
BCHE P06276 1/20 0.94
ACHE P22303 1/20 0.94
ALDH1A1 P00352 3/20 0.69
MAPK1 P28482 3/20 0.69
CYP3A4 P08684 2/20 0.69
HSD17B10 Q99714 2/20 0.69
TSHR P16473 1/20 0.69
CES2 O00748 1/20 0.57
CES1 P23141 1/20 0.57
LMNA P02545 2/20 0.53
TP53 P04637 1/20 0.53
THRB P10828 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
PTGS2 P35354 1/20 0.50
KDM4E B2RXH2 1/20 0.47
BCL9 O00512 1/20 0.46
CTNNB1 P35222 1/20 0.46
POLB P06746 2/20 0.46

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
Paraoxon SCHEMBL21114409 0.97 CA1 (1.00) CA1CA2BCHEACHEALDH1A1
Paraoxon SCHEMBL26405 0.97 CA1 (1.00) CA1CA2BCHEACHEALDH1A1
Paraoxon SCHEMBL2597104 0.88 MAPK1 (0.86) CA1CA2BCHEACHEALDH1A1
Paraoxon SCHEMBL4750760 0.87 CA1 (0.81) CA1CA2BCHEACHEALDH1A1
SCHEMBL2596732 0.85 CA1 (0.74) CA1CA2BCHEACHEALDH1A1
Paraoxon SCHEMBL6925976 0.85 CA1 (0.77) CA1CA2BCHEACHEALDH1A1
P-Nitrophenyl-O-Ethyl Ethylphosphonate SCHEMBL29350630 0.84 CA1 (0.72) CA1CA2BCHEACHEALDH1A1
SCHEMBL2545948 0.84 CES2 (0.73) CA1CA2BCHEACHEALDH1A1
SCHEMBL6267678 0.84 CA1 (0.72) CA1CA2BCHEACHEALDH1A1
SCHEMBL35319 0.84 CA1 (0.71) CA1CA2BCHEACHEALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005075486-A1 METHOD OF SYNTHESIZING COMPOUNDS HAVING A PHOSPHORUS-FLUORINE-18 BOND THE UNIVERSITY OF ALBERTA, SIMON FRASER UNIVERSITY, THE UNIVERSITY OF VICTORIA, THE UNIVERSITY OF BRITISH COLUMBIA AND CARLETON UNIVERSITY, COLLECTIVELY DOING BUSINESS ASTRIUMF (CA) 2005-08-18 WO disclosed
US-20050175534-A1 Method of synthesizing compounds having a phosphorus-fluorine-18 bond THE UNIVERSITY OF ALBERTA, SIMON FRASER UNIVERSITY, THE UNIVERSITY OF VICTORIA, THE UNIVERSITY OF BRITISH COLUMBIA AND CARLETON UNIVERSITY, COLLECTIVELY D/B/A TRIUMF (CA) 2005-08-11 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-20050175534-A1 Method of synthesizing compounds having a phosphorus-fluorine-18 bond PHOSPHO1, PNP, PFAS CA1 1954/4885CA2 2667/4885BCHE 2547/4885

“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.