SCHEMBL6672423

SCHEMBL6672423

CCOC(=O)C(C)=C[C@H](CC(C)C)NC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 1/20 0.37
MAPT P10636 1/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C19 P33261 1/20 0.34
ALDH1A1 P00352 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CTSK P43235 1/20 0.33
KISS1R Q969F8 4/20 0.33
LMNA P02545 2/20 0.32
HSD17B10 Q99714 1/20 0.32
TP53 P04637 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
ESR1 P03372 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
ESR2 Q92731 1/20 0.32

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
SCHEMBL6672418 1.00 GLO1 (0.37) GLO1MAPTCYP2D6CYP2C19ALDH1A1
Hydrochloric Acid SCHEMBL6673610 0.98 GLO1 (0.36) GLO1MAPTCYP2D6CYP2C19ALDH1A1
Hydrochloric Acid SCHEMBL6673606 0.98 GLO1 (0.36) GLO1MAPTCYP2D6CYP2C19ALDH1A1
SCHEMBL515813 0.85 GLO1 (0.40) GLO1MAPTCYP2D6CYP2C19ALDH1A1
SCHEMBL6670901 0.79 CTSK (0.46) CYP2C19CTSKTP53CA1CA2
SCHEMBL6670906 0.79 CTSK (0.46) CYP2C19CTSKTP53CA1CA2
SCHEMBL58098 0.78 GLO1 (0.40) GLO1MAPTCYP2D6CYP2C19ALDH1A1
SCHEMBL88552 0.78 GLO1 (0.40) GLO1MAPTCYP2D6CYP2C19ALDH1A1
SCHEMBL9644464 0.77 FAAH (0.47)
SCHEMBL6671664 0.77 MAPT (0.33) MAPTCYP2D6CYP2C19ALDH1A1NPSR1

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 GLO1 1772/4885MAPT 4461/4885CYP2D6 3002/4885

“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.