SCHEMBL6517656

SCHEMBL6517656

COc1cc(P(=O)(O)O)cc(OC)c1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.52
CYP3A4 P08684 1/20 0.52
ACHE P22303 1/20 0.48
CA9 Q16790 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
PTGS2 P35354 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 2/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
HTR1A P08908 1/20 0.43
HTR2C P28335 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ALOX12 P18054 1/20 0.42
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42

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
SCHEMBL7618726 0.82 ACHE (0.52) MAPTCYP3A4ACHECA9L3MBTL1
SCHEMBL11096420 0.78 ACHE (0.48) MAPTCYP3A4ACHECA9L3MBTL1
SCHEMBL11098711 0.78 ACHE (0.48) MAPTCYP3A4ACHECA9L3MBTL1
SCHEMBL4406229 0.77 TSHR (0.48) MAPTCYP3A4ACHECA9L3MBTL1
SCHEMBL6749290 0.75 INPPL1 (0.62) MAPTCYP3A4ACHECA9L3MBTL1
SCHEMBL8199992 0.74 PTGS2 (0.53) MAPTCYP3A4ACHEL3MBTL1PTGS2
Phosphoric Acid SCHEMBL26634475 0.74 ALDH1A1 (0.51) MAPTCYP3A4ALDH1A1KDM4EHPGD
SCHEMBL6517406 0.72 L3MBTL1 (0.55) MAPTCYP3A4ACHECA9L3MBTL1
SCHEMBL27894557 0.72 MAPT (0.66) MAPTCYP3A4L3MBTL1MEN1KMT2A
SCHEMBL27610495 0.72 MAPT (0.35) MAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050123533-A1 Prodrugs activated by targeted catalytic proteins WELLSTAT BIOCATALYSIS, LLC 2005-06-09 US disclosed
US-6702705-B1 Prodrugs activated by targeted catalytic proteins IGEN INTERNATIONAL, INC. 2004-03-09 US disclosed
US-20030096765-A1 Prodrugs activated by targeted catalytic proteins IGEN, INC. 2003-05-22 US disclosed
US-6258360-B1 BENZOATE CONJUGATES; ANTITUMOR AGENTS IGEN INTERNATIONAL, INC. 2001-07-10 US disclosed
CN-1044911-C Process for preparing prodrug IGEN INC (US) 1999-09-01 CN disclosed
CN-1217335-A Method for preparing precursor medicine IGEN INC (US) 1999-05-26 CN disclosed
EP-0746336-A1 PRODRUGS ACTIVATED BY TARGETED CATALYTIC PROTEINS IGEN, INC. (US) 1996-12-11 EP disclosed
EP-0746336-A4 PRODRUGS ACTIVATED BY TARGETED CATALYTIC PROTEINS IGEN INC (US) 1996-07-26 EP disclosed
CN-1070409-A Prodrugs activated by targetted catalytic proteins IGEN INC (US) 1993-03-31 CN disclosed
WO-1993002703-A1 PRODRUGS ACTIVATED BY TARGETED CATALYTIC PROTEINS IGEN, INC. (US) 1993-02-18 WO 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-20050123533-A1 Prodrugs activated by targeted catalytic proteins DNPH1, DNPEP, PNP MAPT 4193/4885CYP3A4 168/4885ACHE 90/4885
US-20030096765-A1 Prodrugs activated by targeted catalytic proteins DNPH1, DNPEP, PNP MAPT 4193/4885CYP3A4 168/4885ACHE 90/4885

“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.