SCHEMBL18756246

SCHEMBL18756246

CC(C)(C)OC(=O)NNC(=O)C1(O)CC1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPK1 P28482 1/20 0.45
APLNR P35414 1/20 0.45
GAA P10253 5/20 0.41
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
GLA P06280 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
DRD2 P14416 1/20 0.33
BTK Q06187 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
SCHEMBL18756647 0.80 MEN1 (0.49) MEN1KMT2AMAPK1APLNRGAA
SCHEMBL19091349 0.80 MEN1 (0.46) MEN1KMT2AMAPK1APLNRGAA
SCHEMBL2391753 0.79 MEN1 (0.44) MEN1KMT2AMAPK1APLNRGAA
SCHEMBL284141 0.78 APLNR (0.55) MEN1KMT2AMAPK1APLNRGAA
SCHEMBL19091087 0.78 GAA (0.43) MEN1KMT2AMAPK1APLNRGAA
SCHEMBL18756314 0.77 APLNR (0.45) MEN1KMT2AMAPK1APLNRGAA
SCHEMBL18756142 0.77 MEN1 (0.42) MEN1KMT2AMAPK1APLNRGAA
SCHEMBL19090868 0.74 APLNR (0.43) MEN1KMT2AMAPK1APLNRGAA
SCHEMBL11525177 0.74 MEN1 (0.56) MEN1KMT2AMAPK1APLNRGAA
SCHEMBL23116707 0.73 MEN1 (0.42) MEN1KMT2AMAPK1APLNRGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10696707-B2 Polyene macrolide derivative SHIONOGI & CO., LTD. (JP) 2020-06-30 US disclosed
US-20190135847-A1 POLYENE MACROLIDE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2019-05-09 US disclosed
US-20170190729-A1 POLYENE MACROLIDE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2017-07-06 US disclosed
EP-3156410-A1 POLYENE MACROLIDE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2017-04-19 EP 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 (3 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-20170190729-A1 POLYENE MACROLIDE DERIVATIVE ERG28, RPL23, RPL10 MEN1 2837/4885KMT2A 2653/4885MAPK1 3965/4885
US-20190135847-A1 POLYENE MACROLIDE DERIVATIVE ERG28, RPL23, RPL10 MEN1 2837/4885KMT2A 2653/4885MAPK1 3965/4885
US-10696707-B2 Polyene macrolide derivative ERG28, RPL23, RPL10 MEN1 2837/4885KMT2A 2653/4885MAPK1 3965/4885

“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.