SCHEMBL12702907

SCHEMBL12702907

CCOCCOC(=O)OC1=C(c2c(CC)cc(Cl)cc2OC)C(=O)N2CCCCC12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.40
▸ HTT P42858 2/20 0.33
▸ TSHR P16473 2/20 0.32
▸ MAPK1 P28482 2/20 0.32
▸ RECQL P46063 1/20 0.32
▸ KMT2A Q03164 3/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ PDE4A P27815 1/20 0.31
▸ PDE4B Q07343 1/20 0.31
▸ PDE4C Q08493 1/20 0.31
▸ PDE4D Q08499 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ HIF1A Q16665 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ GABRA1 P14867 1/20 0.31
▸ GABRG2 P18507 1/20 0.31
▸ GABRB3 P28472 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
SCHEMBL14129225 0.89 GABRA1 (0.36) KDM4EHTTTSHRMAPK1KMT2A
SCHEMBL12269972 0.87 KDM4E (0.40) KDM4EHTTTSHRMAPK1KMT2A
SCHEMBL9883900 0.86 KDM4E (0.36) KDM4EMAPK1RECQLKMT2AMEN1
SCHEMBL14639799 0.86 KMT2A (0.35) KDM4ETSHRKMT2AALDH1A1PDE4A
SCHEMBL12724445 0.84 KDM4E (0.33) KDM4EKMT2AALDH1A1LMNADAGLB
SCHEMBL9536483 0.80 KDM4E (0.36) KDM4EHTTTSHRMAPK1RECQL
SCHEMBL12658238 0.79 HTR2C (0.38) KDM4ETSHRMAPK1RECQLKMT2A
SCHEMBL13961759 0.76 HTR2C (0.39) TSHRMAPK1ALDH1A1
SCHEMBL13168023 0.76 GABRA1 (0.33) KDM4ETSHRMAPK1KMT2AMEN1
SCHEMBL14411023 0.74 GABRA1 (0.35) KDM4ETSHRMAPK1KMT2AMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110092368-A1 2,4,6-Phenyl-substituted cyclic ketoenols FISCHER REINER 2011-04-21 — — US disclosed
US-7888285-B2 2,4,6-phenyl substituted cyclic ketoenols BAYER CROPSCIENCE AG (DE) 2011-02-15 — — US disclosed
US-20070015664-A1 2,4,6-Phenyl substituted cyclic ketoenols BAYER CROPSCIENCE AG (DE) 2007-01-18 — — 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 (2 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-20070015664-A1 2,4,6-Phenyl substituted cyclic ketoenols CYP4X1, KDM4E, KCNE1 KDM4E 2/4885HTT 3413/4885TSHR 3290/4885
US-20110092368-A1 2,4,6-Phenyl-substituted cyclic ketoenols CYP4X1, KDM4E, PDHX KDM4E 2/4885HTT 3102/4885TSHR 3052/4885

“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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