SCHEMBL6673634

SCHEMBL6673634

CCOC(=O)C(C)=C[C@H](CC(C)C)NCC(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.33
TDP1 Q9NUW8 2/20 0.33
GAA P10253 1/20 0.33
CTSK P43235 2/20 0.33
TP53 P04637 1/20 0.33
KDM4E B2RXH2 1/20 0.32
XBP1 P17861 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTT P42858 1/20 0.31
MMP8 P22894 1/20 0.31
ALDH1A1 P00352 1/20 0.30
CYP2D6 P10635 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
IGF1R P08069 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
SCHEMBL6671664 1.00 MAPT (0.33) MAPTTDP1GAACTSKTP53
SCHEMBL6670906 0.82 CTSK (0.46) CTSKTP53CYP1A2CYP2C9CYP2C19
SCHEMBL6670901 0.82 CTSK (0.46) CTSKTP53CYP1A2CYP2C9CYP2C19
SCHEMBL6672418 0.77 GLO1 (0.37) MAPTTDP1GAACTSKTP53
SCHEMBL6672423 0.77 GLO1 (0.37) MAPTTDP1GAACTSKTP53
Hydrochloric Acid SCHEMBL6673610 0.76 GLO1 (0.36) MAPTTDP1GAACTSKTP53
Hydrochloric Acid SCHEMBL6673606 0.76 GLO1 (0.36) MAPTTDP1GAACTSKTP53
SCHEMBL6671670 0.71 AAK1 (0.36)
SCHEMBL6671661 0.71 AAK1 (0.36)
SCHEMBL1912578 0.70 CYP1A2 (0.43) MAPTCTSKTP53CYP1A2CYP2C9

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
US-20040121965-A1 Method of treating resistant tumors WYETH HOLDINGS CORPORATION (US) 2004-06-24 US disclosed
WO-2004026293-A2 HEMIASTERLIN DERIVATIVES FOR TREATING RESISTANT TUMORS WYETH HOLDINGS CORPORATION (US) 2004-04-01 WO 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-20040121965-A1 Method of treating resistant tumors SLC11A2, VHL, REN MAPT 4461/4885TDP1 4179/4885GAA 328/4885

“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.