SCHEMBL669830

SCHEMBL669830

CC(C)(C)OC(=O)C1(C#N)CC1OC(=O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.45
TSHR P16473 4/20 0.39
ALDH1A1 P00352 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
CHRNA7 P36544 2/20 0.36
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
HTR3A P46098 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 1/20 0.36
ABCB1 P08183 4/20 0.35
APOBEC3A P31941 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35

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
SCHEMBL669831 1.00 GAA (0.45) GAATSHRALDH1A1HSD17B10TDP1
SCHEMBL10073882 0.78 MEN1 (0.31) KMT2AMEN1
SCHEMBL10073883 0.77 MEN1 (0.30) KMT2AMEN1
SCHEMBL10073856 0.76 RORC (0.42) GAATSHRABCB1
SCHEMBL10073910 0.74 GAA (0.52) GAATSHRALDH1A1TDP1KMT2A
SCHEMBL10073881 0.72 CTSS (0.41) KMT2AMEN1
SCHEMBL10073885 0.70 CTSK (0.33) ALDH1A1KMT2AMEN1
Water SCHEMBL1464126 0.69 TDP1 (0.62) TSHRALDH1A1HSD17B10TDP1KMT2A
SCHEMBL10073865 0.68 LMNA (0.37) GAATSHRKMT2AMEN1
SCHEMBL16759576 0.68 GAA (0.48) GAATSHRALDH1A1HSD17B10TDP1

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 2 patents. 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
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 1559/4885TSHR 4532/4885ALDH1A1 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.