SCHEMBL4536773

SCHEMBL4536773

CC1(c2ccccc2)OOC2(CCCCC2)O1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.39
SLC6A2 P23975 3/20 0.39
SLC6A3 Q01959 3/20 0.39
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
CYP2B6 P20813 1/20 0.37
PRCP P42785 1/20 0.37
GRIN1 Q05586 1/20 0.37
KCNH2 Q12809 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36

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
SCHEMBL14182385 1.00 SLC6A4 (0.39) SLC6A4SLC6A2SLC6A3GRIN2DGRIN3B
SCHEMBL1730477 0.73 ALDH1A1 (0.41) SLC6A2SLC6A3OPRM1
SCHEMBL16990752 0.69 HSD11B1 (0.42) SLC6A4SLC6A2SLC6A3OPRM1
SCHEMBL2387990 0.68 SLC6A4 (0.48) SLC6A4SLC6A2SLC6A3GRIN2DGRIN3B
SCHEMBL19382448 0.68 SLC6A4 (0.48) SLC6A4SLC6A2SLC6A3GRIN2DGRIN3B
SCHEMBL4361917 0.67 SLC18A3 (0.41) SIGMAR1
SCHEMBL6882890 0.66
SCHEMBL16174790 0.66 SMN1; SMN2 (0.47)
SCHEMBL24400590 0.65 ALDH1A1 (0.38) SLC6A2SLC6A3OPRM1
SCHEMBL43078 0.65 DPP4 (0.46) SLC6A4SLC6A2SLC6A3OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009091433-A2 SPIRO AND DISPIRO 1,2,4-TRIOXOLANE ANTIMALARIALS MEDICINES FOR MALARIA VENTURE MMV (CH) 2009-07-23 WO disclosed
US-20080125441-A1 SPIRO AND DISPIRO 1,2,4-TRIOXOLANE ANTIMALARIALS MEDICINES FOR MALARIA VENTURE MMV (CH) 2008-05-29 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-20080125441-A1 SPIRO AND DISPIRO 1,2,4-TRIOXOLANE ANTIMALARIALS DHODH, THPO, SQLE SLC6A4 3458/4885SLC6A2 3142/4885SLC6A3 2224/4885

“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.