SCHEMBL13787516

SCHEMBL13787516

CCONC1C(O)OC(CO)C(O)C1O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ MAPK1 P28482 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ HK2 P52789 4/20 0.39
▸ HK1 P19367 3/20 0.39
▸ PYGB P11216 3/20 0.38
▸ GAA P10253 1/20 0.38
▸ AMDHD2 Q9Y303 1/20 0.37
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36

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
SCHEMBL27613884 1.00 KDM4E (0.46) KDM4ELMNACYP2D6CYP2C19MAPK1
SCHEMBL12009770 0.85 MAPK1 (0.40) KDM4ELMNACYP2D6CYP2C19MAPK1
SCHEMBL31237116 0.82 KDM4E (0.48) KDM4ELMNACYP2D6CYP2C19MAPK1
SCHEMBL28081071 0.78 KDM4E (0.44) KDM4ELMNACYP2D6CYP2C19MAPK1
SCHEMBL27718308 0.77 PYGB (0.55) PYGBGAACA1CA2CA9
SCHEMBL27436577 0.77 KDM4E (0.49) KDM4ELMNACYP2D6CYP2C19MAPK1
SCHEMBL13026581 0.77 KDM4E (0.49) KDM4ELMNACYP2D6CYP2C19MAPK1
SCHEMBL15871968 0.77 KDM4E (0.49) KDM4ELMNACYP2D6CYP2C19MAPK1
SCHEMBL1101428 0.77 KDM4E (0.49) KDM4ELMNACYP2D6CYP2C19MAPK1
SCHEMBL13067603 0.77 KDM4E (0.49) KDM4ELMNACYP2D6CYP2C19MAPK1

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-20090176696-A1 Methods And Compositions For Modulating An Immune Response THE PROVOST FELLOWS AND SCHOLARS OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH (IE) 2009-07-09 — — 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-20090176696-A1 Methods And Compositions For Modulating An Immune Response IL5, IL4, IL2 KDM4E 1949/4885LMNA 4298/4885CYP2D6 4477/4885

“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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