SCHEMBL2844383

SCHEMBL2844383

COC(=O)C(C)(C)C(O)c1ccc(OC)c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.34
▸ CYP26A1 O43174 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ PDE4B Q07343 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ ADRB2 P07550 1/20 0.32
▸ MTNR1A P48039 1/20 0.32
▸ MTNR1B P49286 1/20 0.32
▸ BLM P54132 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ ITGA4 P13612 1/20 0.31
▸ ITGB7 P26010 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
SCHEMBL13322097 0.75 PDPK1 (0.32) KDM4EALDH1A1GAAITGA4ITGB7
SCHEMBL13304117 0.73 BLM (0.39) CYP26A1ACHEBLMNPSR1TSHR
SCHEMBL13304135 0.72 FDPS (0.46) ALDH1A1ACHELMNACYP3A4HIF1A
SCHEMBL38654806 0.68 CYP2C19 (0.33) KDM4EALDH1A1GAAMTNR1AMTNR1B
SCHEMBL4284433 0.68 ESR1 (0.44) KDM4ECYP26A1ALDH1A1CYP3A4HIF1A
SCHEMBL4278598 0.67 ADRB2 (0.40) CYP26A1GAACYP3A4ADRB2NPSR1
SCHEMBL10905859 0.67 KCNN4 (0.50) CYP26A1ALDH1A1LMNACYP3A4TSHR
SCHEMBL13448250 0.66 CYP26A1 (0.37) CYP26A1
SCHEMBL23144008 0.66 CA12 (0.42) —
SCHEMBL29811792 0.66 CA12 (0.42) —

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-20100130738-A1 PYRAZOLONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-05-27 — — US disclosed
EP-2168960-A1 PYRAZOLONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT Kyorin Pharmaceutical Co., Ltd. (JP) 2010-03-31 — — EP 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 KDM4E 1383/4885CYP26A1 77/4885ALDH1A1 121/4885

“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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