SCHEMBL9965358

SCHEMBL9965358

CC(C)(C)OC(=O)NCCCOc1ccc(CO)cc1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.67
CA2 P00918 6/20 0.67
CA12 O43570 5/20 0.67
CA9 Q16790 5/20 0.67
SUCNR1 Q9BXA5 8/20 0.56
ITGB3 P05106 1/20 0.53
ITGA2B P08514 1/20 0.53
TDP1 Q9NUW8 1/20 0.51
PDK2 Q15119 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 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
SCHEMBL30439584 0.96 CA1 (0.67) CA1CA2CA12CA9SUCNR1
SCHEMBL17974334 0.96 CA12 (0.66) CA1CA2CA12CA9SUCNR1
SCHEMBL17987669 0.95 CA12 (0.68) CA1CA2CA12CA9SUCNR1
SCHEMBL13185193 0.89 CA12 (0.67) CA1CA2CA12CA9SUCNR1
SCHEMBL14811632 0.86 CA12 (0.64) CA1CA2CA12CA9SUCNR1
SCHEMBL2610727 0.86 CA12 (0.56) CA1CA2CA12CA9SUCNR1
SCHEMBL28030326 0.86 CA12 (0.56) CA1CA2CA12CA9SUCNR1
SCHEMBL15672693 0.86 CA12 (0.70) CA1CA2CA12CA9SUCNR1
SCHEMBL14812141 0.85 CA1 (0.62) CA1CA2CA12CA9SUCNR1
SCHEMBL12461819 0.85 CA12 (0.67) CA1CA2CA12CA9SUCNR1

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-20140010762-A1 IMAGING AGENTS CHROMA THERAPEUTICS LTD (GB) 2014-01-09 US disclosed
US-20140010762-A1 IMAGING AGENTS CHROMA THERAPEUTICS LTD (GB) 2014-01-09 US disclosed
WO-2012080705-A1 IMAGING AGENTS CHROMA THERAPEUTICS LTD (GB) 2012-06-21 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-20140010762-A1 IMAGING AGENTS CES1, CES2, NCEH1 CA1 50/4885CA2 175/4885CA12 211/4885

“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.