SCHEMBL25797601

SCHEMBL25797601

COc1ccc(C(OC[C@H]2OCC[C@@H]2O[P@@](C)(=O)OC[C@H]2OCC[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TYMP P19971 3/20 0.38
SLC6A11 P48066 7/20 0.37
SLC6A1 P30531 3/20 0.37
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
SLC6A12 P48065 2/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
SLC6A13 Q9NSD5 1/20 0.33
NPY2R P49146 1/20 0.32
TYMS P04818 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CYP2J2 P51589 1/20 0.30

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
SCHEMBL25797603 0.90 SLC6A11 (0.35) TYMPSLC6A11SLC6A1MEN1KMT2A
SCHEMBL283757 0.86 TYMP (0.44) TYMPSLC6A11SLC6A1MEN1KMT2A
SCHEMBL13690826 0.86 TYMP (0.44) TYMPSLC6A11SLC6A1MEN1KMT2A
SCHEMBL23215181 0.86 TYMP (0.44) TYMPSLC6A11SLC6A1MEN1KMT2A
SCHEMBL9692839 0.80 SLC6A11 (0.47) TYMPSLC6A11SLC6A1MEN1KMT2A
SCHEMBL298850 0.79 SLC6A11 (0.41) TYMPSLC6A11SLC6A1MEN1KMT2A
SCHEMBL9694698 0.77 SLC6A11 (0.41) TYMPSLC6A11SLC6A1MEN1KMT2A
SCHEMBL14062478 0.76 TYMP (0.36) TYMPSLC6A11SLC6A1MEN1KMT2A
SCHEMBL25797606 0.74
SCHEMBL14410561 0.72 TYMP (0.39) TYMPSLC6A11SLC6A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230212204-A1 REAGENTS AND THEIR USE FOR MODULAR ENANTIODIVERGENT SYNTHESIS OF C-P BONDS THE SCRIPPS RESEARCH INSTITUTE 2023-07-06 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-20230212204-A1 REAGENTS AND THEIR USE FOR MODULAR ENANTIODIVERGENT SYNTHESIS OF C-P BONDS PNKP, POLL, RNGTT TYMP 53/4885SLC6A11 4334/4885SLC6A1 4561/4885

“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.