SCHEMBL18258336

SCHEMBL18258336

CC(C)(C)OC(=O)NCCCNCCCCN(CCCN)C(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 1/20 0.53
MAOA P21397 1/20 0.52
MAOB P27338 1/20 0.52
TDP1 Q9NUW8 1/20 0.48
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 1/20 0.43
CA1 P00915 9/20 0.41
CA2 P00918 9/20 0.41
CA12 O43570 6/20 0.41
CA9 Q16790 6/20 0.41
STK17B O94768 1/20 0.38
STK17A Q9UEE5 1/20 0.38
PAOX Q6QHF9 1/20 0.34
HTT P42858 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL5919555 0.95 CA14 (0.58) CA14MAOAMAOBTDP1MEN1
SCHEMBL19340291 0.93 CA14 (0.57) CA14MAOAMAOBTDP1MEN1
SCHEMBL25219848 0.92 CA14 (0.62) CA14MAOAMAOBTDP1MEN1
SCHEMBL3472122 0.92 CA14 (0.62) CA14MAOAMAOBTDP1MEN1
SCHEMBL7264039 0.92 CA14 (0.58) CA14MAOAMAOBTDP1MEN1
SCHEMBL7270004 0.92 CA14 (0.58) CA14MAOAMAOBTDP1MEN1
SCHEMBL1919913 0.91 CA14 (0.60) CA14MAOAMAOBTDP1MEN1
SCHEMBL9885950 0.91 CA14 (0.63) CA14MAOAMAOBTDP1MEN1
SCHEMBL4370840 0.91 CA14 (0.59) CA14MAOAMAOBTDP1MEN1
SCHEMBL7631999 0.89 CA14 (0.62) CA14MAOAMAOBTDP1MEN1

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-20170231228-A1 SURFACE TREATMENTS BOVIN NICOLAI VLADIMIROVICH (RU) 2017-08-17 US disclosed
WO-2016185331-A1 SURFACE TREATMENTS BOVIN NICOLAI VLADIMIROVICH (RU) 2016-11-24 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-20170231228-A1 SURFACE TREATMENTS PHOSPHO1, SGMS2, SGMS1 CA14 3800/4885MAOA 2421/4885MAOB 2764/4885

“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.