SCHEMBL21707116

SCHEMBL21707116

COC(=O)C(CCCC(N=C=O)C(=O)OC)N=C=O

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
MIF P14174 4/20 0.35
ZDHHC7 Q9NXF8 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.32
CA12 O43570 1/20 0.31
CA14 Q9ULX7 1/20 0.31
MAPT P10636 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL23423085 0.96 ZDHHC7 (0.39) CA1CA2MIFZDHHC7SMN1; SMN2
SCHEMBL4907463 0.91 CA2 (0.50) CA1CA2MIFZDHHC7MAPT
SCHEMBL10451509 0.91 CA2 (0.50) CA1CA2MIFZDHHC7MAPT
SCHEMBL20361871 0.91 CA2 (0.50) CA1CA2MIFZDHHC7MAPT
SCHEMBL11451874 0.88 ZDHHC7 (0.53) CA1CA2ZDHHC7MAPTHSD17B10
SCHEMBL20713284 0.88 CPB2 (0.37) CA1CA2MIFZDHHC7
SCHEMBL11437950 0.88 ZDHHC7 (0.53) CA1CA2ZDHHC7MAPTHSD17B10
SCHEMBL9245515 0.87 CA2 (0.44) CA1CA2MIFZDHHC7MAPT
SCHEMBL27212164 0.86 CA1 (0.40) CA1CA2MIFZDHHC7SMN1; SMN2
SCHEMBL27461791 0.86 MIF (0.45) CA1CA2MIFZDHHC7SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11118001-B2 Isocyanate composition, method for producing isocyanate composition, and method for producing isocyanate polymer ASAHI KASEI KABUSHIKI KAISHA (JP) 2021-09-14 US disclosed
US-11078321-B2 2021-08-03 US disclosed
US-20200048403-A1 ISOCYANATE COMPOSITION, METHOD FOR PRODUCING ISOCYANATE COMPOSITION, AND METHOD FOR PRODUCING ISOCYANATE POLYMER ASAHI KASEI KABUSHIKI KAISHA (JP) 2020-02-13 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 (2 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-11078321-B2 IDH3A, IPO4, F12 CA1 123/4885CA2 193/4885MIF 3524/4885
US-11118001-B2 Isocyanate composition, method for producing isocyanate composition, and method for producing isocyanate polymer IDH3A, IPO4, IDH3B CA1 90/4885CA2 164/4885MIF 3988/4885

“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.