SCHEMBL6262302

SCHEMBL6262302

CC(OP(=O)(OC(C)(c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1)OC(C)(c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1)(c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.45
CA2 P00918 3/20 0.45
ACHE P22303 2/20 0.45
BCHE P06276 1/20 0.45
HSD17B10 Q99714 3/20 0.44
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
ALDH1A1 P00352 6/20 0.43
POLB P06746 1/20 0.43
HSD11B1 P28845 1/20 0.42
CA5A P35218 1/20 0.41
CA9 Q16790 1/20 0.41
MAPK1 P28482 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
AKR1C3 P42330 1/20 0.40
RECQL P46063 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL6262303 0.86 CA1 (0.53) CA1CA2ACHEBCHEHSD17B10
SCHEMBL7607688 0.75 MAPK1 (0.52) CA1CA2ACHEHSD17B10CES1
SCHEMBL7562878 0.75 HSD17B10 (0.44) CA1CA2ACHEHSD17B10CES1
SCHEMBL677959 0.74 HSD17B10 (0.56) CA1CA2ACHEHSD17B10CES1
SCHEMBL1538287 0.74 HSD17B10 (0.56) CA1CA2ACHEHSD17B10CES1
SCHEMBL397351 0.74 HSD17B10 (0.56) CA1CA2ACHEHSD17B10ALDH1A1
SCHEMBL6671840 0.74 HSD17B10 (0.56) CA1CA2ACHEHSD17B10CES1
Methoxymethane SCHEMBL27492761 0.73 ALDH1A1 (0.51) CA1CA2ACHEHSD17B10ALDH1A1
SCHEMBL2637314 0.73 PTPRC (0.51) CA1CA2ACHEHSD17B10CES2
SCHEMBL3230183 0.73 PTPRC (0.51) CA1CA2ACHEHSD17B10CES2

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 2667/4885ACHE 3548/4885

“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.