SCHEMBL16025533

SCHEMBL16025533

COC1OC(CO)C(O)C(O)C1NC(=O)/C=C/c1ccc(C)cc1

nearest known ligand 0.82

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.82
CA9 Q16790 3/20 0.82
HK1 P19367 2/20 0.54
HK2 P52789 2/20 0.54
CA1 P00915 1/20 0.51
SNCA P37840 1/20 0.49
AKR1B1 P15121 1/20 0.46
DPP4 P27487 1/20 0.46

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
SCHEMBL16011460 1.00 CA2 (0.82) CA2CA9HK1HK2CA1
SCHEMBL16011459 1.00 CA2 (0.82) CA2CA9HK1HK2CA1
SCHEMBL16025456 0.90 CA2 (0.81) CA2CA9HK1HK2CA1
SCHEMBL16025457 0.89 CA2 (0.79) CA2CA9HK1HK2CA1
SCHEMBL16011464 0.88 CA9 (0.70) CA2CA9HK1HK2CA1
SCHEMBL16025433 0.88 CA9 (0.70) CA2CA9HK1HK2CA1
SCHEMBL16025459 0.88 CA2 (0.76) CA2CA9HK1HK2CA1
SCHEMBL16011463 0.88 CA9 (0.70) CA2CA9HK1HK2CA1
SCHEMBL16025454 0.87 CA2 (0.75) CA2CA9HK1HK2CA1
SCHEMBL16025453 0.86 CA9 (0.71) CA2CA9HK1HK2CA1

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-20160007600-A1 SYNTHETIC LIPOCHITOOLIGOSACCHARIDE ANALOGS FOR ENHANCING PLANT PERFORMANCE DU PONT (US) 2016-01-14 US disclosed
US-20160007600-A1 SYNTHETIC LIPOCHITOOLIGOSACCHARIDE ANALOGS FOR ENHANCING PLANT PERFORMANCE DU PONT (US) 2016-01-14 US disclosed
WO-2014138490-A1 SYNTHETIC LIPOCHITOOLIGOSACCHARIDE ANALOGS FOR ENHANCING PLANT PERFORMANCE E. I. DU PONT DE NEMOURS AND COMPANY (US) 2014-09-12 WO 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-20160007600-A1 SYNTHETIC LIPOCHITOOLIGOSACCHARIDE ANALOGS FOR ENHANCING PLANT PERFORMANCE LIPC, DDOST, MAGT1 CA2 4069/4885CA9 2976/4885HK1 273/4885

“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.