SCHEMBL2076501

SCHEMBL2076501

C=CCN1C(=O)C2=C(C1=O)C1CCC2C1C

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CASP3 P42574 2/20 0.38
ALDH1A1 P00352 5/20 0.34
CYP3A4 P08684 1/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
POLB P06746 2/20 0.33
RXFP1 Q9HBX9 1/20 0.32
TDP1 Q9NUW8 2/20 0.31
CRHBP P24387 1/20 0.31
MAPK1 P28482 1/20 0.31
CRHR2 Q13324 1/20 0.31
CASP7 P55210 1/20 0.31
KDM4E B2RXH2 1/20 0.30
PKM P14618 1/20 0.30
HTT P42858 1/20 0.30
CYP19A1 P11511 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
SCHEMBL2075078 0.83 CASP3 (0.36) MAPTL3MBTL1CASP3ALDH1A1CYP3A4
SCHEMBL2075057 0.81 CASP3 (0.38) MAPTL3MBTL1CASP3ALDH1A1CYP3A4
SCHEMBL2076341 0.81 CASP3 (0.35) MAPTL3MBTL1CASP3ALDH1A1CYP3A4
SCHEMBL2078156 0.81 CASP3 (0.35) MAPTL3MBTL1CASP3ALDH1A1CYP3A4
SCHEMBL2077880 0.80 CASP3 (0.34) MAPTL3MBTL1CASP3ALDH1A1MEN1
SCHEMBL2076902 0.79 CASP3 (0.33) MAPTL3MBTL1CASP3ALDH1A1MEN1
SCHEMBL2075051 0.79 MEN1 (0.43) MAPTL3MBTL1CASP3ALDH1A1MEN1
SCHEMBL2077517 0.77 MAPT (0.36) MAPTL3MBTL1CASP3ALDH1A1MEN1
SCHEMBL2076888 0.77 CASP3 (0.32) MAPTL3MBTL1CASP3MEN1KMT2A
SCHEMBL2075398 0.77 CYP1A2 (0.32) MAPTL3MBTL1CASP3

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 MAPT 4714/4885L3MBTL1 3187/4885CASP3 2831/4885

“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.