SCHEMBL12899478

SCHEMBL12899478

CC1C[C@@H]2OC(c3ccccc3)OC[C@H]2O1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 1/20 0.43
MAPT P10636 3/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.42
TSHR P16473 2/20 0.38
ADRA1A P35348 1/20 0.37
HTR1A P08908 1/20 0.36
LMNA P02545 2/20 0.36
ATM Q13315 2/20 0.36
MITF O75030 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL12929187 1.00 MEN1 (0.46) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL26765756 0.88 MEN1 (0.43) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL7153011 0.86 MEN1 (0.51) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL7145829 0.86 MEN1 (0.51) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL8905280 0.82 MEN1 (0.49) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL8905152 0.82 MEN1 (0.49) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL8905004 0.82 MEN1 (0.49) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL19905641 0.82 MEN1 (0.45) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL17879635 0.81 MEN1 (0.48) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL29306409 0.79 MEN1 (0.42) MEN1KMT2AL3MBTL1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1947092-B1 Method for producing nucleic acid base having perfluoroalkyl group TOSOH CORP (JP) 2015-04-15 EP disclosed
US-7884202-B2 Nucleobases are perfluoroalkylated in a one step process with a perfluoroalkyl halide in the presence of a sulfoxide, a peroxide and an iron compound; useful as medicinal drugs, intermediates for medicinal drugs and agricultural chemicals TOSOH CORPORATION (JP) 2011-02-08 US disclosed
US-20090124796-A1 Nucleobase Having Perfluoroalkyl Group and Process for Producing the Same TOSOH CORPORATION (JP) 2009-05-14 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-20090124796-A1 Nucleobase Having Perfluoroalkyl Group and Process for Producing the Same PFAS, FPGS, NUDT1 MEN1 4291/4885KMT2A 1473/4885L3MBTL1 1305/4885

“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.