Sugi Predict

Sugi Predict / Compounds / SCHEMBL12658359

SCHEMBL12658359

SCHEMBL12658359

CCc1cc(Cl)cc(OC)c1C1=C(O)C(C)(C)OC1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 1/20 0.35
▸ GSK3B P49841 2/20 0.34
▸ CDK4 P11802 1/20 0.34
▸ CCND1 P24385 1/20 0.34
▸ CPT1A P50416 3/20 0.32
▸ CPT1B Q92523 2/20 0.32
▸ CPT2 P23786 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ GAA P10253 2/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ CNR2 P34972 3/20 0.31
▸ CSNK2A2 P19784 2/20 0.31
▸ CSNK2B P67870 2/20 0.31
▸ CSNK2A1 P68400 2/20 0.31
▸ MAOB P27338 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 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
SCHEMBL12702996 0.84 ERN1 (0.36) ERN1GSK3BCDK4CCND1ALDH1A1
SCHEMBL12658297 0.83 POLB (0.33) ERN1GSK3BCDK4CCND1ALDH1A1
SCHEMBL12658150 0.82 POLB (0.34) ERN1GSK3BCDK4CCND1ALDH1A1
SCHEMBL3760924 0.81 ERN1 (0.32) ERN1GSK3BCDK4CCND1
SCHEMBL10231566 0.78 MAOB (0.35) ERN1GSK3BALDH1A1CNR2CSNK2A2
SCHEMBL1900642 0.77 GSK3B (0.39) ERN1GSK3BCDK4CCND1ALDH1A1
SCHEMBL9883907 0.72 MAOA (0.32) —
SCHEMBL12703203 0.72 — —
SCHEMBL1901580 0.72 GSK3B (0.35) ERN1GSK3BCDK4CCND1ALDH1A1
SCHEMBL13960144 0.70 GSK3B (0.40) GSK3BCDK4CCND1ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1606254-B1 2,4,6-PHENYL SUBSTITUTED CYCLIC KETOENOLS BAYER CROPSCIENCE AG (DE) 2011-05-11 — — EP disclosed
US-20110092368-A1 2,4,6-Phenyl-substituted cyclic ketoenols FISCHER REINER 2011-04-21 — — US disclosed
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-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
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 ERN1 2587/4885GSK3B 138/4885CDK4 458/4885
US-20110092368-A1 2,4,6-Phenyl-substituted cyclic ketoenols CYP4X1, KDM4E, PDHX ERN1 2748/4885GSK3B 201/4885CDK4 432/4885

“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.