SCHEMBL15435010

SCHEMBL15435010

CCOC(=O)/C(C)=C/[C@H](C(C)C)N(C)C(=O)C(NC(=O)[C@@](NC)(c1ccccc1)C1CC1)C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 2/20 0.46
STAT6 P42226 3/20 0.33
POLB P06746 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
MMP1 P03956 1/20 0.31
MMP3 P08254 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 1/20 0.30
NCSTN Q92542 1/20 0.30
APH1A Q96BI3 1/20 0.30
PSENEN Q9NZ42 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CASP1 P29466 1/20 0.30
CASP3 P42574 1/20 0.30
CASP2 P42575 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
SCHEMBL58678 1.00 TUBB1 (0.46) TUBB1STAT6POLBMEN1ALDH1A1
SCHEMBL14591672 1.00 TUBB1 (0.46) TUBB1STAT6POLBMEN1ALDH1A1
SCHEMBL15434938 0.89 TUBB1 (0.58) TUBB1STAT6MMP1MMP3MMP9
SCHEMBL14591673 0.89 TUBB1 (0.58) TUBB1STAT6MMP1MMP3MMP9
SCHEMBL58294 0.89 TUBB1 (0.58) TUBB1STAT6MMP1MMP3MMP9
SCHEMBL15429820 0.85 TUBB1 (0.47) TUBB1STAT6POLBMEN1ALDH1A1
SCHEMBL59371 0.85 TUBB1 (0.46) TUBB1STAT6POLBMEN1ALDH1A1
SCHEMBL59072 0.84 TUBB1 (0.48) TUBB1STAT6POLBMEN1ALDH1A1
SCHEMBL13682076 0.82 TUBB1 (0.67) TUBB1STAT6POLBMMP1MMP3
SCHEMBL57410 0.82 TUBB1 (0.67) TUBB1STAT6POLBMMP1MMP3

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-7192972-B2 Hemiasterlin derivatives and uses thereof EISAI CO., LTD. (JP) 2007-03-20 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-20140309174-A1 HEMIASTERLIN DERIVATIVES AND USES THEREOF IN THE TREATMENT OF CANCER DHCR7, HSD17B7, HCCS TUBB1 1330/4885STAT6 4739/4885POLB 3602/4885

“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.