SCHEMBL13609306

SCHEMBL13609306

CCC1(CC)COC2(CCN(C(=O)OC)CC2)O1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 7/20 0.42
CYP2C9 P11712 3/20 0.40
USP2 O75604 2/20 0.40
CYP1A2 P05177 2/20 0.40
KMT2A Q03164 2/20 0.39
CYP3A4 P08684 7/20 0.38
CYP2C19 P33261 5/20 0.38
MAPK1 P28482 2/20 0.38
MEN1 O00255 1/20 0.38
HSD17B10 Q99714 2/20 0.37
TSHR P16473 3/20 0.36
HIF1A Q16665 1/20 0.36
ALDH1A1 P00352 3/20 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
SCHEMBL13608955 0.90 TSHR (0.45) CYP2C9KMT2ACYP3A4CYP2C19TSHR
SCHEMBL13609234 0.86 KMT2A (0.39) CYP2D6CYP2C9USP2CYP1A2KMT2A
SCHEMBL13609315 0.82 KMT2A (0.50) KMT2AMAPK1TSHRALDH1A1
SCHEMBL13609235 0.79 MEN1 (0.52) KMT2ACYP2C19MEN1ALDH1A1
SCHEMBL2081988 0.75 KMT2A (0.54) CYP2D6CYP2C9USP2CYP1A2KMT2A
SCHEMBL13609309 0.75
SCHEMBL13609310 0.72
SCHEMBL24300501 0.72 CYP2D6 (0.50) CYP2D6CYP2C9USP2CYP1A2KMT2A
SCHEMBL13609313 0.71
SCHEMBL13608965 0.70

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-20090291923-A1 TRIOXANE DIMERS HAVING HIGH ANTICANCER AND LONG-LASTING ANTIMALARIAL ACTIVITIES JOHNS HOPKINS UNIVERSOTY (US) 2009-11-26 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-20090291923-A1 TRIOXANE DIMERS HAVING HIGH ANTICANCER AND LONG-LASTING ANTIMALARIAL ACTIVITIES HCCS, XPO5, DHX15 CYP2D6 816/4885CYP2C9 675/4885USP2 3462/4885

“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.