SCHEMBL23917658

SCHEMBL23917658

CC(C)Oc1cncc(C(C)CCOc2cncc(C(C)C)c2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.36
CHRNA4 P43681 3/20 0.36
TDP1 Q9NUW8 1/20 0.34
NOS1 P29475 3/20 0.33
NOS2 P35228 3/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNB3 Q05901 1/20 0.32
CHRNA6 Q15825 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HTT P42858 1/20 0.32
PIK3CD O00329 1/20 0.32
PIP5K1C O60331 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
PI4KA P42356 1/20 0.32
PIK3CG P48736 1/20 0.32
PI4KB Q9UBF8 1/20 0.32

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
SCHEMBL799287 0.83 CHRNB2 (0.43) CHRNB2CHRNA4NOS1NOS2CYP11B1
SCHEMBL24616627 0.78 OXTR (0.38) TDP1
SCHEMBL10141621 0.77 GGPS1 (0.40) CHRNB2CHRNA4KDM4EHTT
SCHEMBL7101811 0.76 CHRNB2 (0.40) CHRNB2CHRNA4TDP1CYP11B1CYP11B2
SCHEMBL11914067 0.75 CHRNB2 (0.38) CHRNB2CHRNA4NOS1NOS2KDM4E
SCHEMBL12015774 0.75 CHRNB2 (0.44) CHRNB2CHRNA4NOS1NOS2KDM4E
SCHEMBL10141673 0.75 CYP11B1 (0.41) CHRNB2CHRNA4NOS1NOS2CYP11B1
SCHEMBL10141614 0.73 CYP11B1 (0.43) CHRNB2CHRNA4TDP1NOS1NOS2
SCHEMBL7238338 0.72 CHRNB2 (0.41) CHRNB2CHRNA4CYP11B1CYP11B2KDM4E
SCHEMBL24362607 0.72 PRMT5 (0.33)

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-20210317103-A1 ASK1 INHIBITING AGENTS BIOGEN MA INC. 2021-10-14 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-20210317103-A1 ASK1 INHIBITING AGENTS MAP3K1, MAP3K6, MAP3K10 CHRNB2 4177/4885CHRNA4 4597/4885TDP1 148/4885

“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.