SCHEMBL7200824

SCHEMBL7200824

C#CCC(CC#C)C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.50
GRIK2 Q13002 2/20 0.50
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
SLC1A3 P43003 1/20 0.30
SLC1A2 P43004 1/20 0.30
SLC1A1 P43005 1/20 0.30
IL1RN P18510 1/20 0.30
ERAP2 Q6P179 1/20 0.30
ERAP1 Q9NZ08 1/20 0.30
LNPEP Q9UIQ6 1/20 0.30
CYP2D6 P10635 1/20 0.30
NFKB1 P19838 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 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
SCHEMBL805202 0.85
SCHEMBL26616598 0.84 GRIK1 (0.47) GRIK1GRIK2CA1CA2CYP2D6
SCHEMBL7841783 0.84 GRIK1 (0.42) GRIK1GRIK2CA1CA2
SCHEMBL17822475 0.82 CA1 (0.45) GRIK1GRIK2CA1CA2SLC1A3
SCHEMBL2479818 0.79 CA2 (0.62) GRIK1GRIK2CA1CA2SLC1A3
SCHEMBL27777053 0.78 GRIK1 (0.40) GRIK1GRIK2SLC1A3SLC1A2SLC1A1
SCHEMBL7141244 0.77 GRIK1 (0.48) GRIK1GRIK2
SCHEMBL1262920 0.76
SCHEMBL13163259 0.76
SCHEMBL31271026 0.74 GRIK1 (0.36) GRIK1GRIK2LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6607868-B2 Dipropargyl acetamide HYNIX SEMICONDUCTOR INC. (KR) 2003-08-19 US claimed
US-20020012879-A1 Novel photoresist monomers, polymers thereof, and photoresist compositions containing the same HYNIX SEMICONDUCTOR INC. (KR) 2002-01-31 US claimed
US-6607868-B2 Dipropargyl acetamide HYNIX SEMICONDUCTOR INC. (KR) 2003-08-19 US disclosed
US-6607868-B2 Dipropargyl acetamide HYNIX SEMICONDUCTOR INC. (KR) 2003-08-19 US disclosed
US-20020012879-A1 Novel photoresist monomers, polymers thereof, and photoresist compositions containing the same HYNIX SEMICONDUCTOR INC. (KR) 2002-01-31 US disclosed
US-20020012879-A1 Novel photoresist monomers, polymers thereof, and photoresist compositions containing the same HYNIX SEMICONDUCTOR INC. (KR) 2002-01-31 US disclosed
US-4567298-A ELECTROCONDUCTIVITY W. R. GRACE & CO. (US) 1986-01-28 US disclosed
US-4511702-A ELECTROCONDUCTIVITY W. R. GRACE & CO. (US) 1985-04-16 US disclosed
US-4497727-A Poly(dipropargylamine)and derivatives thereof per se and _p-doped and processes for preparing same W. R. GRACE & CO. (US) 1985-02-05 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-20020012879-A1 Novel photoresist monomers, polymers thereof, and photoresist compositions containing the same CDH1, DDAH1, DPEP1 GRIK1 631/4885GRIK2 1509/4885CA1 2013/4885

“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.