SCHEMBL26792172

SCHEMBL26792172

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nearest known ligand 0.79

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.79
▸ THRB P10828 1/20 0.79
▸ MAPK1 P28482 2/20 0.69
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ CD69 Q07108 1/20 0.51
▸ CA1 P00915 1/20 0.48
▸ CA2 P00918 1/20 0.48
▸ CA9 Q16790 1/20 0.48
▸ POLB P06746 1/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46

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
SCHEMBL20281076 1.00 ALDH1A1 (0.79) ALDH1A1THRBMAPK1SMN1; SMN2CD69
SCHEMBL13096289 0.89 ALDH1A1 (0.78) ALDH1A1THRBMAPK1SMN1; SMN2CD69
SCHEMBL20990354 0.89 ALDH1A1 (0.78) ALDH1A1THRBMAPK1SMN1; SMN2CD69
SCHEMBL22059479 0.89 ALDH1A1 (0.78) ALDH1A1THRBMAPK1SMN1; SMN2CD69
SCHEMBL23332629 0.89 ALDH1A1 (0.78) ALDH1A1THRBMAPK1SMN1; SMN2CD69
SCHEMBL23719677 0.89 ALDH1A1 (0.78) ALDH1A1THRBMAPK1SMN1; SMN2CD69
SCHEMBL24936522 0.89 ALDH1A1 (0.78) ALDH1A1THRBMAPK1SMN1; SMN2CD69
SCHEMBL23323248 0.89 ALDH1A1 (0.78) ALDH1A1THRBMAPK1SMN1; SMN2CD69
SCHEMBL21029771 0.89 ALDH1A1 (0.78) ALDH1A1THRBMAPK1SMN1; SMN2CD69
SCHEMBL22058769 0.89 ALDH1A1 (0.78) ALDH1A1THRBMAPK1SMN1; SMN2CD69

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-20230357301-A1 HEXOSE DERIVATIVES, PREPARATION AND USES THEREOF FACULDADE DE CIENCIAS DA UNIVERSIDADE DE LISBOA (PT) 2023-11-09 — — 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-20230357301-A1 HEXOSE DERIVATIVES, PREPARATION AND USES THEREOF HK1, SLC5A1, HK2 ALDH1A1 857/4885THRB 1747/4885MAPK1 352/4885

“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.

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