SCHEMBL10073874

SCHEMBL10073874

CCOC(=O)C1CC1(C#N)C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
ALDH1A1 P00352 3/20 0.37
TSHR P16473 1/20 0.37
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
MAPT P10636 3/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
FKBP1A P62942 2/20 0.31
CTSK P43235 1/20 0.31
CTSL P07711 1/20 0.30
GAA P10253 2/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
KDM4E B2RXH2 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL10073864 0.84 CTSK (0.32) MEN1KMT2ACTSKCTSL
SCHEMBL669757 0.83 CTSK (0.34) MEN1KMT2AALDH1A1MAPTCTSK
SCHEMBL670221 0.81
SCHEMBL669391 0.80 MAPT (0.35) MEN1KMT2AALDH1A1TSHRMAPT
SCHEMBL668943 0.79 CTSK (0.30) CTSK
SCHEMBL13728479 0.77 ALDH1A1 (0.38) MEN1KMT2AALDH1A1TSHRNFKB1
SCHEMBL10073885 0.75 CTSK (0.33) MEN1KMT2AALDH1A1MAPTCTSK
SCHEMBL19585423 0.75 ALDH1A1 (0.36) MEN1KMT2AALDH1A1TSHRNFKB1
SCHEMBL669392 0.74 MEN1 (0.34) MEN1KMT2AALDH1A1TSHRMAPT
SCHEMBL15695026 0.74 ALDH1A1 (0.39) MEN1KMT2AALDH1A1TSHRNFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120046455-A1 Catalytic Cyclopropanation of Alkenes with Alpha-Cyano-Diazoacetates NATIONAL SCIENCE FOUNDATION 2012-02-23 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 (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-20120046455-A1 Catalytic Cyclopropanation of Alkenes with Alpha-Cyano-Diazoacetates PPOX, POR, PCCA MEN1 3325/4885KMT2A 3417/4885ALDH1A1 454/4885

“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.