SCHEMBL7206432

SCHEMBL7206432

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

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.37
GRIK2 Q13002 2/20 0.37
KMT2A Q03164 2/20 0.33
CTSK P43235 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
LMNA P02545 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
NOS1 P29475 2/20 0.30
NOS3 P29474 1/20 0.30
NOS2 P35228 1/20 0.30
DGAT1 O75907 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
SCHEMBL1689113 0.80 GRIK1 (0.39) GRIK1GRIK2CTSKNOS1NOS3
SCHEMBL24591259 0.80 GRIK1 (0.39) GRIK1GRIK2CTSKNOS1NOS3
SCHEMBL16387589 0.79 CTSK (0.43) CTSKCA1CA2CA7
SCHEMBL6334845 0.78 CYP2D6 (0.39) GRIK1GRIK2KMT2ACTSKMEN1
SCHEMBL6334844 0.78 CYP2D6 (0.39) GRIK1GRIK2KMT2ACTSKMEN1
SCHEMBL4658599 0.77 GRIK1 (0.33) GRIK1GRIK2CTSKNOS1NOS3
SCHEMBL7467477 0.77 GRIK1 (0.44) GRIK1GRIK2KMT2ACTSKMEN1
SCHEMBL6336899 0.77 GRIK1 (0.44) GRIK1GRIK2KMT2ACTSKMEN1
SCHEMBL20184104 0.76 CYP1A2 (0.35) KMT2AMEN1LMNA
SCHEMBL7854706 0.76 CA1 (0.42) GRIK1GRIK2KMT2ACA1CA2

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-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

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 1509/4885KMT2A 328/4885

“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.