SCHEMBL88217

SCHEMBL88217

CNC(CNC(C(=O)N(C)C(/C=C(\C)C(=O)N1CCC[C@H]1COC)C(C)C)C(C)(C)C)C(C)(C)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 2/20 0.46
STAT6 P42226 3/20 0.33
KCNK3 O14649 2/20 0.32
BIRC2 Q13490 5/20 0.31
XIAP P98170 1/20 0.31
BIRC3 Q13489 1/20 0.31
DPP4 P27487 2/20 0.31
DPP8 Q6V1X1 1/20 0.31
PRMT5 O14744 1/20 0.31
ROCK2 O75116 1/20 0.31
ROCK1 Q13464 1/20 0.31

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
SCHEMBL57418 1.00 TUBB1 (0.46) TUBB1STAT6KCNK3BIRC2XIAP
SCHEMBL14185879 1.00 TUBB1 (0.46) TUBB1STAT6KCNK3BIRC2XIAP
SCHEMBL88425 0.90 TUBB1 (0.46) TUBB1
SCHEMBL13681890 0.90 TUBB1 (0.46) TUBB1
SCHEMBL57972 0.90 TUBB1 (0.46) TUBB1
SCHEMBL57416 0.89 TUBB1 (0.45) TUBB1STAT6BIRC2XIAPBIRC3
SCHEMBL88219 0.89 TUBB1 (0.43) TUBB1STAT6BIRC2XIAPBIRC3
SCHEMBL57622 0.88 TUBB1 (0.62) TUBB1STAT6KCNK3BIRC2XIAP
SCHEMBL13681901 0.87 TUBB1 (0.42) TUBB1STAT6BIRC2XIAPBIRC3
SCHEMBL57412 0.84 TUBB1 (0.45) TUBB1DPP4

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 4739/4885KCNK3 3707/4885

“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.