SCHEMBL6506308

SCHEMBL6506308

CCN(CC(C)C)C(=O)c1ccc2c(=O)c3c(sc2c1)CC(C)(C)CC3

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.44
HSP90AA1 P07900 5/20 0.35
HSP90AB1 P08238 5/20 0.35
CYP1A2 P05177 1/20 0.33
BLM P54132 1/20 0.33
HPGD P15428 3/20 0.32
MLYCD O95822 2/20 0.32
PDK2 Q15119 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MAPT P10636 1/20 0.30
BCHE P06276 1/20 0.30
ACHE P22303 1/20 0.30
SLC34A2 O95436 1/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL6529219 0.87 KIF11 (0.41) KIF11HSP90AA1HSP90AB1CYP1A2BLM
SCHEMBL6507664 0.86 KIF11 (0.40) KIF11HSP90AA1HSP90AB1CYP1A2BLM
SCHEMBL5740952 0.84 KIF11 (0.41) KIF11ALDH1A1LMNAMAPTBCHE
SCHEMBL6510139 0.81 KMT2A (0.41) KIF11HPGDMLYCDLMNASLC34A2
SCHEMBL5741839 0.79 RXRA (0.37) KIF11SLC34A2
SCHEMBL6529416 0.78 PDK2 (0.36) KIF11PDK2
SCHEMBL6508440 0.78 KIF11 (0.34) KIF11SLC34A2
SCHEMBL6504028 0.74 MAPK14 (0.41) HPGDALDH1A1
SCHEMBL5739318 0.74 KIF11 (0.32) KIF11SLC34A2
SCHEMBL5739316 0.74 PDE4B (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-20050009820-A1 Thiochromenones used to combat painful conditions and neurodegenerative diseases BAYER HEALTHCARE AG (DE) 2005-01-13 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-20050009820-A1 Thiochromenones used to combat painful conditions and neurodegenerative diseases HTT, HMOX1, SNCA KIF11 2553/4885HSP90AA1 267/4885HSP90AB1 190/4885

“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.