SCHEMBL4441502

SCHEMBL4441502

CCOC(C)OC(=O)OC1=C(c2c(Cl)cc(C)cc2OC)C(=O)N2CCCCC12

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.32
▸ KDM4E B2RXH2 3/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ THRB P10828 1/20 0.32
▸ MTNR1A P48039 2/20 0.31
▸ MTNR1B P49286 2/20 0.31
▸ PPOX P50336 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ TSHR P16473 2/20 0.31
▸ HPGD P15428 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 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
▸ HTT P42858 1/20 0.30
▸ DAGLB Q8NCG7 1/20 0.30

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
SCHEMBL12724445 0.88 KDM4E (0.33) KDM4EALDH1A1LMNAKMT2ADAGLB
SCHEMBL9884800 0.85 ALDH1A1 (0.30) ALDH1A1
SCHEMBL12269972 0.84 KDM4E (0.40) POLBSMN1; SMN2KDM4EPPOXLMNA
SCHEMBL14354620 0.83 SMN1; SMN2 (0.36) POLBSMN1; SMN2KDM4EALDH1A1THRB
SCHEMBL9727439 0.80 HPGD (0.36) SMN1; SMN2ALDH1A1TSHRHPGD
SCHEMBL4448684 0.76 HTR2C (0.39) POLBSMN1; SMN2ALDH1A1PPOXTSHR
SCHEMBL14129225 0.74 GABRA1 (0.36) POLBKDM4EALDH1A1LMNATSHR
SCHEMBL14639799 0.72 KMT2A (0.35) SMN1; SMN2KDM4EALDH1A1LMNATSHR
SCHEMBL12702907 0.72 KDM4E (0.40) KDM4EALDH1A1LMNATSHRMEN1
SCHEMBL10267137 0.71 PDCD1 (0.35) POLBLMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1732930-B1 2,4,6-PHENYLSUBSTITUTED CYCLIC KETOENOLES BAYER CROPSCIENCE AG (DE) 2012-05-02 — — EP disclosed
US-20110213160-A1 2,4,6-Phenyl-Substituted Derivatives BAYER CROPSCIENCE AG (DE) 2011-09-01 — — US disclosed
US-20110195842-A1 2,4,6-Phenyl-Substituted Cyclic Ketoenols BAYER CROPSCIENCE AG (DE) 2011-08-11 — — US disclosed
US-7947704-B2 2,4,6-phenyl-substituted cyclic ketoenols BAYER CROPSCIENCE AG (DE) 2011-05-24 — — 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-20110195842-A1 2,4,6-Phenyl-Substituted Cyclic Ketoenols CYP4X1, KCNE1, KDM4E POLB 3290/4885SMN1; SMN2 4169/4885KDM4E 3/4885
US-20110213160-A1 2,4,6-Phenyl-Substituted Derivatives CYP4X1, KDM4E, KCNE1 POLB 3461/4885SMN1; SMN2 4082/4885KDM4E 2/4885

“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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