SCHEMBL26565783

SCHEMBL26565783

CC[C@@]1(F)C[C@@H](COC(=O)OCc2ccccc2)O[C@H]1O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
GLA P06280 1/20 0.37
CYP3A4 P08684 5/20 0.35
CYP2C19 P33261 4/20 0.35
CYP2C9 P11712 4/20 0.35
TSHR P16473 4/20 0.35
KMT2A Q03164 3/20 0.35
LMNA P02545 2/20 0.35
MEN1 O00255 2/20 0.35
MGLL Q99685 2/20 0.34
HTR2C P28335 1/20 0.34
CYP1A2 P05177 2/20 0.34
MAPK1 P28482 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A3 Q01959 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL26565772 0.74 CYP2C19 (0.41) ALDH1A1CYP3A4CYP2C19CYP2C9TSHR
SCHEMBL25444957 0.73 MGLL (0.58) MGLL
SCHEMBL26242293 0.72 ALDH1A1 (0.42) ALDH1A1TSHRKMT2AMEN1MGLL
SCHEMBL26566200 0.72 ALDH1A1 (0.42) ALDH1A1TSHRKMT2AMEN1MGLL
SCHEMBL26566243 0.72 ALDH1A1 (0.42) ALDH1A1TSHRKMT2AMEN1MGLL
SCHEMBL26557795 0.71 CYP2C9 (0.40) ALDH1A1CYP3A4CYP2C19CYP2C9TSHR
SCHEMBL26558457 0.71 CYP2C9 (0.40) ALDH1A1CYP3A4CYP2C19CYP2C9TSHR
SCHEMBL26242360 0.71 CYP2C9 (0.40) ALDH1A1CYP3A4CYP2C19CYP2C9TSHR
SCHEMBL26563321 0.69 ALDH1A1 (0.43) ALDH1A1GLACYP2C19KMT2ALMNA
SCHEMBL24987943 0.68 ALDH1A1 (0.47) ALDH1A1TSHRKMT2ALMNAMEN1

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-20230331751-A1 STEREOSELECTIVE MANUFACTURE OF SELECTED PURINE PHOSPHORAMIDATES Atea Pharmaceuticals, Inc. (US) 2023-10-19 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-20230331751-A1 STEREOSELECTIVE MANUFACTURE OF SELECTED PURINE PHOSPHORAMIDATES NUDT1, PNP, ATIC ALDH1A1 946/4885GLA 4062/4885CYP3A4 1370/4885

“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.