SCHEMBL29324933

SCHEMBL29324933

CC(=O)O[C@@H]1C(C)O[C@H](COC(=O)c2ccccc2)C1(C)OC(C)=O

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
ABCB1 P08183 13/20 0.39
NPC1 O15118 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38
SLC43A1 O75387 1/20 0.38

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
SCHEMBL6972453 0.95 ALDH1A1 (0.45) ALDH1A1ABCB1NPC1TSHRSLC43A1
SCHEMBL16576324 0.89 ALDH1A1 (0.45) ALDH1A1ABCB1NPC1TSHRKMT2A
SCHEMBL20557502 0.89 ALDH1A1 (0.45) ALDH1A1ABCB1NPC1TSHRKMT2A
SCHEMBL27087661 0.89 ALDH1A1 (0.45) ALDH1A1ABCB1NPC1TSHRKMT2A
SCHEMBL12151575 0.87 ALDH1A1 (0.38) ALDH1A1ABCB1SLC43A1
SCHEMBL16409754 0.87 ALDH1A1 (0.38) ALDH1A1ABCB1SLC43A1
SCHEMBL12111919 0.85 ALDH1A1 (0.44) ALDH1A1ABCB1NPC1TSHRKMT2A
SCHEMBL12112020 0.85 ALDH1A1 (0.44) ALDH1A1ABCB1NPC1TSHRKMT2A
SCHEMBL6973355 0.83 CYP2D6 (0.33) ALDH1A1ABCB1TSHR
SCHEMBL14724959 0.82 ALDH1A1 (0.48) ALDH1A1ABCB1NPC1TSHRKMT2A

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-20240238323-A1 MODIFIED NUCLEOSIDES AND NUCLEOTIDES ANALOGS AS ANTIVIRAL AGENTS FOR CORONA AND OTHER VIRUSES EMORY UNIVERSITY 2024-07-18 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-20240238323-A1 MODIFIED NUCLEOSIDES AND NUCLEOTIDES ANALOGS AS ANTIVIRAL AGENTS FOR CORONA AND OTHER VIRUSES MTAP, PNP, SARS1 ALDH1A1 1929/4885ABCB1 2799/4885NPC1 1383/4885

“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.