SCHEMBL13530762

SCHEMBL13530762

CC(=O)OC1O[C@@H](COC(=O)c2ccccc2I)C(C)(OC(=O)c2ccccc2)[C@H]1OC(C)=O

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
ABCB1 P08183 13/20 0.33
PTPRF P10586 1/20 0.33
PTPN2 P17706 1/20 0.33
PTPN1 P18031 1/20 0.33

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
SCHEMBL12300838 1.00 ALDH1A1 (0.38) ALDH1A1TSHRKMT2AABCB1PTPRF
SCHEMBL12330324 1.00 ALDH1A1 (0.38) ALDH1A1TSHRKMT2AABCB1PTPRF
SCHEMBL12151575 0.90 ALDH1A1 (0.38) ALDH1A1ABCB1
SCHEMBL16409754 0.90 ALDH1A1 (0.38) ALDH1A1ABCB1
SCHEMBL14036874 0.89 ALDH1A1 (0.39) ALDH1A1TSHRKMT2AABCB1
SCHEMBL14010466 0.89 ALDH1A1 (0.39) ALDH1A1TSHRKMT2AABCB1
SCHEMBL14615902 0.88 ALDH1A1 (0.44) ALDH1A1TSHRKMT2AABCB1
SCHEMBL20557502 0.87 ALDH1A1 (0.45) ALDH1A1TSHRKMT2AABCB1
SCHEMBL16576324 0.87 ALDH1A1 (0.45) ALDH1A1TSHRKMT2AABCB1
SCHEMBL27087661 0.87 ALDH1A1 (0.45) ALDH1A1TSHRKMT2AABCB1

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-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS BOOJAMRA CONSTANTINE G 2010-01-28 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-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS PIK3CA, PHOSPHO1, PTEN ALDH1A1 3678/4885TSHR 4311/4885KMT2A 2630/4885

“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.