SCHEMBL233887

SCHEMBL233887

O=[N+]([O-])c1ccc(OP(=O)(O)Oc2ccccc2)cc1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.86
CES1 P23141 2/20 0.86
CA1 P00915 2/20 0.69
CA2 P00918 2/20 0.69
BCHE P06276 1/20 0.51
ACHE P22303 1/20 0.51
ALDH1A1 P00352 4/20 0.50
LMNA P02545 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
CYP3A4 P08684 2/20 0.50
MAPK1 P28482 2/20 0.50
HSD17B10 Q99714 2/20 0.50
AKR1C3 P42330 1/20 0.50
SRC P12931 1/20 0.50
TP53 P04637 1/20 0.50
THRB P10828 1/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
KDM4E B2RXH2 1/20 0.48
DRD2 P14416 1/20 0.48

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
SCHEMBL223704 0.93 CES1 (1.00) CES2CES1CA1CA2BCHE
SCHEMBL11588711 0.91 CES1 (0.96) CES2CES1CA1CA2BCHE
Bromide SCHEMBL11420868 0.91 CES1 (0.96) CES2CES1CA1CA2BCHE
SCHEMBL11588705 0.91 CES1 (0.96) CES2CES1CA1CA2BCHE
Water SCHEMBL9045475 0.91 CES1 (0.96) CES2CES1CA1CA2BCHE
P-Nitrophenylphosphate SCHEMBL2771528 0.90 CA1 (0.86) CES2CES1CA1CA2BCHE
Pyrophosphoric Acid SCHEMBL29033361 0.86 CES1 (0.86) CES2CES1CA1CA2BCHE
SCHEMBL5246741 0.86 CES1 (0.86) CES2CES1CA1CA2BCHE
SCHEMBL10410659 0.86 CA1 (0.63) CES2CES1CA1CA2BCHE
SCHEMBL959287 0.86 CA1 (0.63) CES2CES1CA1CA2BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118165034-A Nucleotide compound, composition and application thereof 深圳市塔吉瑞生物医药有限公司 2024-06-11 CN disclosed
US-20230338409-A1 NUCLEOSIDE DRUGS FOR THE TREATMENT OR PREVENTION OF CORONAVIRUS INFECTION AND THEIR USES MIRACURE BIOTECHNOLOGY LTD (CN) 2023-10-26 US disclosed
WO-2012006187-A2 METHODS AND DEVICES FOR THE SELECTIVE DETECTION OF MICROORGANISMS C3 JIAN, INC. (US) 2012-01-12 WO disclosed
US-20120003661-A1 METHODS AND DEVICES FOR THE SELECTIVE DETECTION OF MICROORGANISMS C3 JIAN, INC. (US) 2012-01-05 US disclosed
CN-101617014-A Flame-retardant adhesive composition, flexible copper-clad laminate and coverlay film SHOWA HIGHPOLYMER 2009-12-30 CN 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-20230338409-A1 NUCLEOSIDE DRUGS FOR THE TREATMENT OR PREVENTION OF CORONAVIRUS INFECTION AND THEIR USES PNP, MTAP, TYMP CES2 336/4885CES1 185/4885CA1 3738/4885

“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.