SCHEMBL17236366

SCHEMBL17236366

COc1ccc(CO)cc1CC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
CA2 P00918 1/20 0.40
ACHE P22303 1/20 0.40
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
TTR P02766 1/20 0.39
AR P10275 1/20 0.39
MAPT P10636 1/20 0.38
CYP19A1 P11511 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
HTT P42858 1/20 0.37
ESR1 P03372 1/20 0.37

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
SCHEMBL1742531 0.83 PDE4A (0.50) NPC1POLBRAB9ACA2ACHE
SCHEMBL13302839 0.83 ACHE (0.41) NPC1POLBRAB9ACA2ACHE
SCHEMBL20223008 0.81 GAA (0.60) POLBMTNR1AMTNR1B
SCHEMBL18264884 0.80 PKM (0.46) NPC1POLBRAB9ACA2ACHE
SCHEMBL20222979 0.80 TLR7 (0.43) CA2MTNR1AMTNR1B
SCHEMBL25460974 0.79 POLB (0.47) NPC1POLBRAB9ACA2ACHE
SCHEMBL12578537 0.79 TSHR (0.46) NPC1POLBRAB9ACA2
SCHEMBL19414263 0.79 MAOB (0.47) TTRMAPTHTTESR1
SCHEMBL20222976 0.79 PPARA (0.56)
SCHEMBL21032973 0.78 RIPK1 (0.41) MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150315227-A1 PHOSPHOROUS PROTECTING GROUPS AND METHODS OF PREPARATION AND USE THEREOF UNIVERSITY OF COLORADO BOULDER 2015-11-05 US 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-20150315227-A1 PHOSPHOROUS PROTECTING GROUPS AND METHODS OF PREPARATION AND USE THEREOF POLN, POLRMT, NUDT21 NPC1 4041/4885POLB 5/4885RAB9A 3121/4885

“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.