SCHEMBL16655694

SCHEMBL16655694

CC1(C)OB(c2ccc3[nH]c(O)nc3c2)OC1(C)C

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LPL P06858 12/20 0.39
LIPG Q9Y5X9 12/20 0.39
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
SNCA P37840 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
F11 P03951 1/20 0.35
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
ESR2 Q92731 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 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
SCHEMBL19965243 0.84 LPL (0.40) LPLLIPGIDO1TDO2SNCA
SCHEMBL28483833 0.82 LPL (0.39) LPLLIPGIDO1TDO2SNCA
SCHEMBL30016416 0.82 FABP6 (0.42) LPLLIPGSNCAIRAK4F11
SCHEMBL3132769 0.82 FABP6 (0.42) LPLLIPGSNCAIRAK4F11
SCHEMBL13201515 0.80 DDAH1 (0.46) LPLLIPGSNCAIRAK4F11
SCHEMBL14658441 0.79 NPSR1 (0.45) LPLLIPGIDO1TDO2SNCA
SCHEMBL16062202 0.78 LPL (0.51) LPLLIPG
SCHEMBL23926180 0.78 LMNA (0.52)
SCHEMBL15746286 0.76 NPC1 (0.47) LPLLIPG
SCHEMBL14250363 0.76 LPL (0.47) LPLLIPG

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-20210317140-A1 Heterocyclic Compounds and Methods of Use MEDIVATION TECHNOLOGIES, INC. (US) 2021-10-14 US disclosed
EP-3057970-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE Medivation Technologies, Inc. (US) 2016-08-24 EP disclosed
WO-2015058084-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2015-04-23 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-20210317140-A1 Heterocyclic Compounds and Methods of Use BTK, PIK3CD, PIK3CB LPL 3249/4885LIPG 1740/4885IDO1 2049/4885

“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.