SCHEMBL88624

SCHEMBL88624

CCC(CC)(C(=O)NC(C(=O)N(C)C(/C=C(\C)C(=O)O)C(C)C)C(C)(C)C)N(C)C

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 2/20 0.53
PDF Q9HBH1 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
SCHEMBL14210151 1.00 TUBB1 (0.53) TUBB1PDF
SCHEMBL57439 1.00 TUBB1 (0.53) TUBB1PDF
SCHEMBL12202130 0.92 TUBB1 (0.44) TUBB1PDF
SCHEMBL88664 0.87 TUBB1 (0.41) TUBB1
SCHEMBL57978 0.87 TUBB1 (0.41) TUBB1
SCHEMBL58920 0.86 TUBB1 (0.53) TUBB1PDF
SCHEMBL58144 0.85 TUBB1 (0.56) TUBB1
SCHEMBL57850 0.85 TUBB1 (0.58) TUBB1PDF
SCHEMBL58626 0.85 TUBB1 (0.54) TUBB1PDF
SCHEMBL14210202 0.85 TUBB1 (0.54) TUBB1PDF

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-20120309938-A1 HEMIASTERLIN DERIVATIVES AND USES THEREOF IN THE TREATMENT OF CANCER EISAI CO., LTD. (JP) 2012-12-06 US disclosed
EP-2374454-A1 Hemiasterlin derivatives and uses thereof in the treatment of cancer Eisai R&D Management Co., Ltd. (JP) 2011-10-12 EP 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 1330/4885PDF 1613/4885

“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.