SCHEMBL88817

SCHEMBL88817

C/C(C=O)=C\C(C(C)C)N(C)C(=O)C(NC(=O)C(N(C)C)C(C)(C)c1ccccc1)C(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 2/20 0.51
STAT6 P42226 2/20 0.34
MMP2 P08253 10/20 0.32
ADAM17 P78536 4/20 0.32
MMP3 P08254 4/20 0.32
MMP1 P03956 2/20 0.32
TNF P01375 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
SCHEMBL13682599 0.92 TUBB1 (0.51) TUBB1STAT6MMP2ADAM17MMP3
SCHEMBL14233968 0.89 TUBB1 (0.64) TUBB1STAT6MMP2ADAM17MMP3
SCHEMBL6674366 0.89 TUBB1 (0.64) TUBB1STAT6MMP2ADAM17MMP3
SCHEMBL12202612 0.89 TUBB1 (0.49) TUBB1STAT6
SCHEMBL58571 0.89 TUBB1 (0.49) TUBB1STAT6
SCHEMBL14210208 0.89 TUBB1 (0.49) TUBB1STAT6
SCHEMBL88909 0.88 TUBB1 (0.65) TUBB1STAT6MMP2ADAM17MMP3
SCHEMBL58572 0.88 TUBB1 (0.65) TUBB1STAT6MMP2ADAM17MMP3
SCHEMBL14233751 0.88 TUBB1 (0.65) TUBB1STAT6MMP2ADAM17MMP3
SCHEMBL90338 0.87 TUBB1 (0.50) TUBB1STAT6MMP2ADAM17MMP3

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-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 (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-20120309938-A1 HEMIASTERLIN DERIVATIVES AND USES THEREOF IN THE TREATMENT OF CANCER DHCR7, HSD17B7, HCCS TUBB1 1330/4885STAT6 4739/4885MMP2 2548/4885

“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.