SCHEMBL2076072

SCHEMBL2076072

C=CCN1C(=O)C2=C(C1=O)C1CCC2C1CCCC

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.33
MAPT P10636 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 1/20 0.30
NFKB1 P19838 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 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
SCHEMBL2075398 0.96 CYP1A2 (0.32) CASP3MAPTL3MBTL1
SCHEMBL2075419 0.94 CYP1A2 (0.34) CASP3MAPTL3MBTL1ALDH1A1
SCHEMBL2077880 0.91 CASP3 (0.34) CASP3MAPTL3MBTL1ALDH1A1
SCHEMBL2075078 0.84 CASP3 (0.36) CASP3MAPTL3MBTL1ALDH1A1
SCHEMBL2077443 0.78 CASP3 (0.30) CASP3
SCHEMBL2076501 0.78 MAPT (0.40) CASP3MAPTL3MBTL1ALDH1A1
SCHEMBL2075051 0.78 MEN1 (0.43) CASP3MAPTL3MBTL1ALDH1A1
SCHEMBL2076902 0.75 CASP3 (0.33) CASP3MAPTL3MBTL1ALDH1A1
SCHEMBL2078236 0.74 ALOX5 (0.30)
SCHEMBL2078156 0.74 CASP3 (0.35) CASP3MAPTL3MBTL1ALDH1A1

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-2028183-B1 NOVEL EPOXY COMPOUND AND METHOD FOR PRODUCING THE SAME SHOWA DENKO KK (JP) 2014-03-26 EP disclosed
US-7863461-B2 Epoxy compounds and method for production of the same SHOWA DENKO K.K. (JP) 2011-01-04 US disclosed
US-20090253915-A1 NOVEL EPOXY COMPOUNDS AND METHOD FOR PRODUCTION OF THE SAME SHOWA DENKO K.K. (JP) 2009-10-08 US disclosed
EP-2028183-A1 NOVEL EPOXY COMPOUND AND METHOD FOR PRODUCING THE SAME Showa Denko K.K. (JP) 2009-02-25 EP 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 (1 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-20090253915-A1 NOVEL EPOXY COMPOUNDS AND METHOD FOR PRODUCTION OF THE SAME PTGIS, PTGES, CYP2E1 CASP3 2831/4885MAPT 4714/4885L3MBTL1 3187/4885

“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.