SCHEMBL2996875

SCHEMBL2996875

CCc1cc(C)cc(OC)c1C1C(=O)NC2(CCC(OC)CC2)C1=O

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.31
ACACB O00763 1/20 0.30
ACACA Q13085 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
CDK4 P11802 1/20 0.30
CCND1 P24385 1/20 0.30
GSK3B P49841 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
SCHEMBL3076232 0.92 ACACB (0.32) ACACBACACA
SCHEMBL2886584 0.89 ACACB (0.33) ACACBACACAKMT2A
SCHEMBL3001186 0.88 KMT2A (0.36) MEN1KMT2A
SCHEMBL5435809 0.87 BACE1 (0.32) ACACBACACA
SCHEMBL5429034 0.82 DPP4 (0.37) ACACBACACA
SCHEMBL5432156 0.82 BACE1 (0.36)
SCHEMBL3077698 0.79 THRB (0.37) MEN1KMT2A
SCHEMBL13360439 0.78 MEN1 (0.32) CNR2MEN1KMT2ATDP1CDK4
SCHEMBL2889210 0.73 KMT2A (0.41) KMT2A
SCHEMBL16562503 0.73 ACACB (0.32) ACACBACACA

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 8 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-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
EP-1809634-A1 2-ALKOXY-6-ALKYL-PHENYL-SUBSTITUTED SPIROCYCLIC TETRAMIC ACID DERIVATIVES Bayer CropScience Aktiengesellschaft (DE) 2007-07-25 EP disclosed
WO-2006056281-A1 2-ALKOXY-6-ALKYL-PHENYL-SUBSTITUTED SPIROCYCLIC TETRAMIC ACID DERIVATIVES BAYER CROPSCIENCE AG (DE) 2006-06-01 WO 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 CNR2 2800/4885ACACB 509/4885ACACA 617/4885
US-20100174084-A1 2-Alkoxy-6-alkyl-phenyl-substituted Spirocyclic Tetramic Acid Derivatives DDT, PAOX, PTPRG CNR2 2800/4885ACACB 509/4885ACACA 617/4885

“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.