SCHEMBL26558447

SCHEMBL26558447

CCCCCCCCCCCCCCCCOC(=O)OC[C@H]1OC(=O)[C@](C)(F)[C@@H]1OC(=O)OCCCCCCCCCCCCCCCC

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
CYP3A4 P08684 2/20 0.35
MAPT P10636 1/20 0.35
CYP2C19 P33261 1/20 0.35
TSHR P16473 2/20 0.35
LMNA P02545 1/20 0.35
LPAR1 Q92633 1/20 0.34
NAAA Q02083 3/20 0.33
TP53 P04637 1/20 0.33
MAPK1 P28482 1/20 0.33
PRKCA P17252 1/20 0.32
FAAH O00519 1/20 0.32

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
SCHEMBL26558697 0.88 ALDH1A1 (0.36) ALDH1A1CYP3A4MAPTCYP2C19TSHR
SCHEMBL26558434 0.85 CYP2C19 (0.39) ALDH1A1CYP3A4MAPTCYP2C19TSHR
SCHEMBL26558184 0.80 ALDH1A1 (0.32) ALDH1A1CYP3A4MAPTCYP2C19TSHR
SCHEMBL26558167 0.80 ALDH1A1 (0.32) ALDH1A1CYP3A4MAPTCYP2C19TSHR
SCHEMBL26558170 0.79 TSHR (0.35) ALDH1A1CYP3A4TSHRLMNANAAA
SCHEMBL26557816 0.79 SMN1; SMN2 (0.32)
SCHEMBL26558155 0.78 TSHR (0.34) ALDH1A1TSHRLMNANAAAPRKCA
SCHEMBL26558449 0.78 ALDH1A1 (0.38) ALDH1A1CYP3A4MAPTCYP2C19TSHR
SCHEMBL26558699 0.78 FAAH (0.38) ALDH1A1CYP3A4MAPTCYP2C19TSHR
SCHEMBL26558172 0.77 TSHR (0.36) ALDH1A1CYP3A4TSHRLMNATP53

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 946/4885CYP3A4 1370/4885MAPT 3657/4885

“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.