SCHEMBL670177

SCHEMBL670177

COC(=O)C1CC1(C#N)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
ATM Q13315 1/20 0.33
LMNA P02545 1/20 0.32
CYP1A2 P05177 2/20 0.31
HIF1A Q16665 1/20 0.31
TSHR P16473 2/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
PPM1B O75688 1/20 0.30
PTPN1 P18031 1/20 0.30
PPP1CC P36873 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
SCHEMBL669391 0.81 MAPT (0.35) MEN1KMT2ALMNATSHRCYP3A4
SCHEMBL10073864 0.78 CTSK (0.32) MEN1KMT2A
SCHEMBL10857833 0.77 APLNR (0.31) TDP1
SCHEMBL10083507 0.76 CTSB (0.33)
SCHEMBL10855962 0.71 HSD17B10 (0.30) TDP1
SCHEMBL24868147 0.71
SCHEMBL4645147 0.71
SCHEMBL4296033 0.68 LMNA (0.44) MEN1KMT2AATMLMNACYP1A2
Bicarbonate SCHEMBL10618406 0.67 ATM (0.41) MEN1KMT2AATMLMNACYP1A2
SCHEMBL24868385 0.67

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 3417/4885POLB 339/4885

“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.