SCHEMBL13322097

SCHEMBL13322097

COC(=O)C(C)(C)C(O)c1ccc(OC)c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)n1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ ITGA4 P13612 1/20 0.31
▸ ITGB7 P26010 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ AAK1 Q2M2I8 1/20 0.31

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
SCHEMBL13322101 0.76 DGAT1 (0.36) KDM4EALDH1A1GAAAAK1
SCHEMBL2848178 0.76 KDM4E (0.36) KDM4EALDH1A1GAA
SCHEMBL2844383 0.75 KDM4E (0.34) KDM4EITGA4ITGB7ALDH1A1GAA
SCHEMBL17467122 0.75 BACE1 (0.37) KDM4EALDH1A1GAAAAK1
SCHEMBL3111363 0.74 KDM4E (0.38) KDM4EALDH1A1GAA
SCHEMBL3112360 0.74 KDM4E (0.51) KDM4EALDH1A1
SCHEMBL2847646 0.73 KDM4E (0.34) KDM4EALDH1A1GAA
SCHEMBL2844180 0.72 MTNR1A (0.34) PDPK1KDM4EITGA4ITGB7ALDH1A1
SCHEMBL3128187 0.71 KDM4E (0.35) KDM4E
SCHEMBL13303880 0.70 KDM4E (0.35) KDM4EALDH1A1GAAAAK1

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-20100130738-A1 PYRAZOLONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-05-27 — — 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-20100130738-A1 PYRAZOLONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT PDE3A, PDE3B, PDE2A PDPK1 565/4885KDM4E 1383/4885ITGA4 3603/4885

“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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