SCHEMBL10073910

SCHEMBL10073910

CC1(C#N)CC1OC(=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.52
TSHR P16473 3/20 0.47
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.42
CHRNA7 P36544 2/20 0.41
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
HTR3A P46098 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
APOBEC3A P31941 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
ABCB1 P08183 3/20 0.39
LMNA P02545 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
F2 P00734 1/20 0.39
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL669830 0.74 GAA (0.45) GAATSHRKMT2AMEN1CHRNA7
SCHEMBL669831 0.74 GAA (0.45) GAATSHRKMT2AMEN1CHRNA7
SCHEMBL11637028 0.72 TSHR (0.64) GAATSHRKMT2AMEN1CHRNA7
SCHEMBL4702654 0.72 GAA (0.55) GAATSHRKMT2AMEN1CHRNA7
SCHEMBL7629696 0.72 TSHR (0.56) GAATSHRKMT2AMEN1CHRNA7
SCHEMBL7629693 0.72 TSHR (0.56) GAATSHRKMT2AMEN1CHRNA7
SCHEMBL8183692 0.71 GAA (0.58) GAATSHRKMT2AMEN1CHRNA7
SCHEMBL28699769 0.71 GAA (0.50) GAATSHRKMT2AMEN1CHRNA7
SCHEMBL28931753 0.70 GAA (0.49) GAATSHRKMT2AMEN1CHRNA7
SCHEMBL10526267 0.70 TSHR (0.60) GAATSHRKMT2AMEN1CHRNA7

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 4532/4885KMT2A 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.