SCHEMBL88733

SCHEMBL88733

CNC(C(=O)NC(C(=O)N(C)C(/C=C(\C)C(=O)N1CCOCC1)C(C)C)C(C)(C)C)C(C)(C)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 2/20 0.61
SMN1; SMN2 Q16637 1/20 0.36
CTSS P25774 8/20 0.35
CNR2 P34972 2/20 0.35
CNR1 P21554 1/20 0.34
KCNA5 P22460 1/20 0.33
TACR1 P25103 2/20 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
SCHEMBL57909 1.00 TUBB1 (0.61) TUBB1SMN1; SMN2CTSSCNR2CNR1
SCHEMBL4373023 1.00 TUBB1 (0.61) TUBB1SMN1; SMN2CTSSCNR2CNR1
SCHEMBL58347 0.92 TUBB1 (0.63) TUBB1CNR2
SCHEMBL4371556 0.92 TUBB1 (0.53) TUBB1SMN1; SMN2CNR2CNR1
SCHEMBL4370881 0.91 TUBB1 (0.55) TUBB1CNR2
SCHEMBL4370474 0.91 TUBB1 (0.55) TUBB1CNR2
SCHEMBL4374151 0.91 TUBB1 (0.61) TUBB1CNR2
SCHEMBL4370830 0.90 TUBB1 (0.56) TUBB1SMN1; SMN2CNR2CNR1
SCHEMBL4368741 0.90 TUBB1 (0.56) TUBB1SMN1; SMN2CNR2CNR1
SCHEMBL4366902 0.87 TUBB1 (0.59) TUBB1SMN1; SMN2

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 1330/4885SMN1; SMN2 4520/4885CTSS 2074/4885

“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.