SCHEMBL13071276

SCHEMBL13071276

CCc1cc(C)cc(OC)c1C1=C(OC)C2(CCCCC2)NC1=O

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.36
ALDH1A1 P00352 4/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPK1 P28482 2/20 0.35
LMNA P02545 2/20 0.35
HTT P42858 1/20 0.35
CDK4 P11802 1/20 0.34
CCND1 P24385 1/20 0.34
GSK3B P49841 1/20 0.34
PDE7A Q13946 4/20 0.33
MEN1 O00255 2/20 0.32

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
SCHEMBL13244218 0.89 KMT2A (0.33) KMT2AALDH1A1SMN1; SMN2MAPK1LMNA
SCHEMBL13071535 0.88 ALDH1A1 (0.36) KMT2AALDH1A1SMN1; SMN2MAPK1LMNA
SCHEMBL13244215 0.88 ALDH1A1 (0.33) KMT2AALDH1A1SMN1; SMN2MAPK1LMNA
SCHEMBL13070875 0.87 ACACB (0.37) KMT2AALDH1A1SMN1; SMN2MAPK1LMNA
SCHEMBL13266737 0.87 ALDH1A1 (0.35) KMT2AALDH1A1SMN1; SMN2MAPK1LMNA
SCHEMBL13071297 0.86 LMNA (0.35) KMT2AALDH1A1SMN1; SMN2MAPK1LMNA
SCHEMBL13071277 0.81
SCHEMBL13071070 0.78 ACACB (0.38)
SCHEMBL15489561 0.77 ALDH1A1 (0.35) KMT2AALDH1A1SMN1; SMN2MAPK1LMNA
SCHEMBL13288547 0.76 KMT2A (0.37) KMT2APDE7A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2253207-A1 Substituted phenyl acetic acid esters Bayer CropScience AG (DE) 2010-11-24 EP disclosed
EP-2216316-A1 Phenyl acetic acid derivatives Bayer CropScience Aktiengesellschaft (DE) 2010-08-11 EP disclosed
EP-2216317-A1 Phenyl acetic acid halogenides Bayer CropScience AG (DE) 2010-08-11 EP disclosed
US-20100174084-A1 2-Alkoxy-6-alkyl-phenyl-substituted Spirocyclic Tetramic Acid Derivatives BAYER CROPSCIENCE AG (DE) 2010-07-08 US disclosed
US-20100174084-A1 2-Alkoxy-6-alkyl-phenyl-substituted Spirocyclic Tetramic Acid Derivatives BAYER CROPSCIENCE AG (DE) 2010-07-08 US disclosed
US-7718186-B2 2-alkoxy-6-alkylphenyl-substituted spirocyclic tetramic acid derivatives BAYER CROPSCIENCE AG (DE) 2010-05-18 US disclosed
US-7718186-B2 2-alkoxy-6-alkylphenyl-substituted spirocyclic tetramic acid derivatives BAYER CROPSCIENCE AG (DE) 2010-05-18 US disclosed
US-20080220973-A1 2-Alkoxy-6-Alkyl-Phenyl-Substituted Spirocyclic Tetramic Acid Derivatives BAYER CROPSCIENCE AG (DE) 2008-09-11 US disclosed
US-20080220973-A1 2-Alkoxy-6-Alkyl-Phenyl-Substituted Spirocyclic Tetramic Acid Derivatives BAYER CROPSCIENCE AG (DE) 2008-09-11 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-20080220973-A1 2-Alkoxy-6-Alkyl-Phenyl-Substituted Spirocyclic Tetramic Acid Derivatives DDT, PAOX, PTPRG KMT2A 1494/4885ALDH1A1 1170/4885SMN1; SMN2 4498/4885
US-20100174084-A1 2-Alkoxy-6-alkyl-phenyl-substituted Spirocyclic Tetramic Acid Derivatives DDT, PAOX, PTPRG KMT2A 1494/4885ALDH1A1 1170/4885SMN1; SMN2 4498/4885

“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.