SCHEMBL671693

SCHEMBL671693

COc1ccc(C2CC2(C#N)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
RAB9A P51151 2/20 0.43
LMNA P02545 4/20 0.41
TSHR P16473 2/20 0.41
BLM P54132 2/20 0.41
CYP2C9 P11712 1/20 0.41
PPARA Q07869 1/20 0.41
ALDH1A1 P00352 5/20 0.37
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
KDM4E B2RXH2 2/20 0.36
BACE1 P56817 2/20 0.35
CTSD P07339 1/20 0.35
CTSE P14091 1/20 0.35
ELANE P08246 1/20 0.35
RECQL P46063 1/20 0.35
TP53 P04637 1/20 0.34

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
SCHEMBL10073865 0.87 LMNA (0.37) GAAMEN1KMT2ALMNATSHR
SCHEMBL10073856 0.85 RORC (0.42) GAALMNATSHRBLMCYP2C9
SCHEMBL669428 0.82 GAA (0.47) GAAMEN1KMT2ARAB9ALMNA
SCHEMBL10073858 0.73 NR3C2 (0.48) GAAMEN1KMT2ARAB9ALMNA
SCHEMBL28610228 0.73 GAA (0.47) GAAMEN1KMT2ARAB9ABLM
SCHEMBL15960825 0.72 MAPT (0.43) MEN1KMT2ATSHRMAPT
SCHEMBL10073885 0.71 CTSK (0.33) MEN1KMT2AALDH1A1MAPT
SCHEMBL14967648 0.68 BACE1 (0.36) GAAMEN1KMT2ARAB9ALMNA
SCHEMBL10073864 0.68 CTSK (0.32) MEN1KMT2A
SCHEMBL16109774 0.68 ALDH1A1 (0.40) GAAMEN1KMT2ARAB9ALMNA

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 GAA 1559/4885MEN1 3325/4885KMT2A 3417/4885

“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.