SCHEMBL14210658

SCHEMBL14210658

C/C(=C\C(C(C)C)N(C)C(=O)[C@H](NC=O)C1CCCC1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 2/20 0.50

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
SCHEMBL14233323 0.99 TUBB1 (0.52) TUBB1
SCHEMBL14210657 0.99 TUBB1 (0.52) TUBB1
SCHEMBL14210654 0.84 TUBB1 (0.37) TUBB1
SCHEMBL14234005 0.84 TUBB1 (0.37) TUBB1
SCHEMBL14233768 0.83 TUBB1 (0.39) TUBB1
SCHEMBL14210655 0.83 TUBB1 (0.39) TUBB1
SCHEMBL14233112 0.78 TUBB1 (0.46) TUBB1
SCHEMBL59892 0.78 TUBB1 (0.47) TUBB1
SCHEMBL14210680 0.78 TUBB1 (0.46) TUBB1
SCHEMBL90537 0.78 TUBB1 (0.47) TUBB1

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
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 1330/4885

“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.