SCHEMBL20042211

SCHEMBL20042211

CC(C)[C@H](O)C12CC(C1)C2

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.42
SLC22A2 O15244 1/20 0.39
SLC47A1 Q96FL8 1/20 0.39
MAPT P10636 1/20 0.37
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
GRIN3A Q8TCU5 1/20 0.32
EPHX2 P34913 1/20 0.31

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
SCHEMBL20042205 1.00 SMN1; SMN2 (0.42) SMN1; SMN2SLC22A2SLC47A1MAPTNPC1
SCHEMBL20042203 1.00 SMN1; SMN2 (0.42) SMN1; SMN2SLC22A2SLC47A1MAPTNPC1
SCHEMBL2961008 0.90 SMN1; SMN2 (0.53) SMN1; SMN2SLC22A2SLC47A1MAPTNPC1
SCHEMBL20042206 0.90 SMN1; SMN2 (0.53) SMN1; SMN2SLC22A2SLC47A1MAPTNPC1
SCHEMBL19758138 0.90 SMN1; SMN2 (0.53) SMN1; SMN2SLC22A2SLC47A1MAPTNPC1
SCHEMBL20042216 0.80 SMN1; SMN2 (0.34) SMN1; SMN2SLC22A2SLC47A1MAPT
SCHEMBL20042215 0.80 SMN1; SMN2 (0.34) SMN1; SMN2SLC22A2SLC47A1MAPT
SCHEMBL20042213 0.80 SMN1; SMN2 (0.34) SMN1; SMN2SLC22A2SLC47A1MAPT
SCHEMBL25237741 0.77
SCHEMBL31345052 0.77

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-20180099939-A1 COMPOUNDS AND METHODS FOR IDO AND TDO MODULATION AND INDICATIONS THEREFOR PLEXXIKON INC. 2018-04-12 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-20180099939-A1 COMPOUNDS AND METHODS FOR IDO AND TDO MODULATION AND INDICATIONS THEREFOR IDO1, TDO2, IDO2 SMN1; SMN2 2220/4885SLC22A2 1286/4885SLC47A1 331/4885

“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.