SCHEMBL2076489

SCHEMBL2076489

C=CCN1C(=O)C2=C(C1=O)C1CC2CC1C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.36
ALDH1A1 P00352 4/20 0.33
MAPT P10636 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
POLB P06746 2/20 0.31
RXFP1 Q9HBX9 1/20 0.31
MEN1 O00255 1/20 0.30
CRHBP P24387 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 1/20 0.30
CRHR2 Q13324 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL2077517 0.82 MAPT (0.36) CASP3ALDH1A1MAPTL3MBTL1MEN1
SCHEMBL2076339 0.80
SCHEMBL2077807 0.79 CASP3 (0.33) CASP3MAPTL3MBTL1
SCHEMBL2077306 0.78 CASP3 (0.35) CASP3MAPTL3MBTL1MEN1KMT2A
SCHEMBL2075870 0.78 CASP3 (0.32) CASP3ALDH1A1MAPTL3MBTL1MEN1
SCHEMBL2075041 0.77 CASP3 (0.31) CASP3MAPTL3MBTL1
SCHEMBL2076341 0.77 CASP3 (0.35) CASP3ALDH1A1MAPTL3MBTL1POLB
SCHEMBL2077895 0.76 MEN1 (0.40) CASP3MAPTL3MBTL1MEN1KMT2A
SCHEMBL2077342 0.76 CASP3 (0.31) CASP3MAPTL3MBTL1
SCHEMBL2077443 0.75 CASP3 (0.30) CASP3

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 2831/4885ALDH1A1 607/4885MAPT 4714/4885

“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.