SCHEMBL16409754

SCHEMBL16409754

CC(=O)O[C@H]1C(C)O[C@@H](COC(=O)c2ccccc2I)C1(C)OC(=O)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
ABCB1 P08183 15/20 0.35
SLC43A1 O75387 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
SCHEMBL12151575 1.00 ALDH1A1 (0.38) ALDH1A1ABCB1SLC43A1
SCHEMBL12300838 0.90 ALDH1A1 (0.38) ALDH1A1ABCB1
SCHEMBL12330324 0.90 ALDH1A1 (0.38) ALDH1A1ABCB1
SCHEMBL13530762 0.90 ALDH1A1 (0.38) ALDH1A1ABCB1
SCHEMBL29324933 0.87 ALDH1A1 (0.45) ALDH1A1ABCB1SLC43A1
SCHEMBL6972453 0.82 ALDH1A1 (0.45) ALDH1A1ABCB1SLC43A1
SCHEMBL13530760 0.81 ALDH1A1 (0.32) ALDH1A1
SCHEMBL12151574 0.81 ALDH1A1 (0.32) ALDH1A1
SCHEMBL16409753 0.81 ALDH1A1 (0.32) ALDH1A1
SCHEMBL12300849 0.81 ALDH1A1 (0.32) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9139604-B2 Antiviral phosphonate analogs GILEAD SCIENCES, INC. (US) 2015-09-22 US disclosed
US-20150025039-A1 ANTIVIRAL PHOSPHONATE ANALOGS GILEAD SCIENCES, INC. 2015-01-22 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-20150025039-A1 ANTIVIRAL PHOSPHONATE ANALOGS TYMP, ITPA, PNP ALDH1A1 4754/4885ABCB1 3217/4885SLC43A1 1266/4885

“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.