SCHEMBL14211015

SCHEMBL14211015

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 1/20 0.41
NPSR1 Q6W5P4 2/20 0.37
CYP2D6 P10635 3/20 0.37
CYP2C19 P33261 2/20 0.37
ALDH1A1 P00352 5/20 0.37
LMNA P02545 2/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TSHR P16473 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
S1PR4 O95977 1/20 0.33
S1PR1 P21453 1/20 0.33
MAPK1 P28482 1/20 0.33
TRPA1 O75762 1/20 0.33
CYP2C9 P11712 2/20 0.33

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
SCHEMBL15913603 0.83 NPSR1 (0.47) GLO1NPSR1CYP2D6CYP2C19ALDH1A1
SCHEMBL5076118 0.80 GLO1 (0.47) GLO1NPSR1CYP2D6CYP2C19ALDH1A1
SCHEMBL5076122 0.80 GLO1 (0.47) GLO1NPSR1CYP2D6CYP2C19ALDH1A1
SCHEMBL27570223 0.79 GLO1 (0.45) GLO1NPSR1CYP2D6CYP2C19ALDH1A1
SCHEMBL3289816 0.77 GLO1 (0.44) GLO1NPSR1CYP2D6CYP2C19ALDH1A1
SCHEMBL58098 0.76 GLO1 (0.40) GLO1NPSR1CYP2D6CYP2C19ALDH1A1
SCHEMBL88552 0.76 GLO1 (0.40) GLO1NPSR1CYP2D6CYP2C19ALDH1A1
SCHEMBL17531547 0.76 GLO1 (0.37) GLO1NPSR1CYP2D6CYP2C19ALDH1A1
SCHEMBL29100689 0.76 GLO1 (0.47) GLO1NPSR1CYP2D6CYP2C19ALDH1A1
SCHEMBL2820296 0.76 GLO1 (0.42) GLO1NPSR1CYP2D6CYP2C19ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140309174-A1 HEMIASTERLIN DERIVATIVES AND USES THEREOF IN THE TREATMENT OF CANCER EISAI CO., LTD (JP) 2014-10-16 US disclosed
US-8633224-B2 Hemiasterlin derivatives and uses thereof in the treatment of cancer EISAI CO., LTD. (JP) 2014-01-21 US disclosed
US-20120309938-A1 HEMIASTERLIN DERIVATIVES AND USES THEREOF IN THE TREATMENT OF CANCER EISAI CO., LTD. (JP) 2012-12-06 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 (2 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-20120309938-A1 HEMIASTERLIN DERIVATIVES AND USES THEREOF IN THE TREATMENT OF CANCER DHCR7, HSD17B7, HCCS GLO1 2768/4885NPSR1 803/4885CYP2D6 279/4885
US-20140309174-A1 HEMIASTERLIN DERIVATIVES AND USES THEREOF IN THE TREATMENT OF CANCER DHCR7, HSD17B7, HCCS GLO1 2768/4885NPSR1 803/4885CYP2D6 279/4885

“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.