SCHEMBL13404990

SCHEMBL13404990

CC(=O)OCC[C@@H](C)CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.39
SMYD2 Q9NRG4 3/20 0.38
CYP3A4 P08684 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
RAD52 P43351 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
SCHEMBL3596455 1.00 ALOX15 (0.39) ALOX15SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL25328099 0.83 ALDH1A1 (0.42) SMYD2CYP3A4HTTSMN1; SMN2ALDH1A1
SCHEMBL18082177 0.82 SMYD2 (0.38) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL5026278 0.82 SMYD2 (0.38) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL5026273 0.82 SMYD2 (0.38) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL31645264 0.81 SMYD2 (0.37) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL18082187 0.80 SMYD2 (0.37) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL8174758 0.80 ALDH1A1 (0.36) SMYD2CYP3A4HTTSMN1; SMN2ALDH1A1
SCHEMBL8174756 0.80 ALDH1A1 (0.36) SMYD2CYP3A4HTTSMN1; SMN2ALDH1A1
SCHEMBL31645258 0.79 SMYD2 (0.38) SMYD2CYP3A4HTTSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100093842-A1 Laulimalide Analogs and Uses Thereof EISAI CO. LTD. 2010-04-15 US disclosed
US-20070287745-A1 Laulimalide Analogs and Uses Thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-12-13 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 (2 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-20100093842-A1 Laulimalide Analogs and Uses Thereof LPXN, MLX, ZYX ALOX15 741/4885SMYD2 919/4885CYP3A4 4193/4885
US-20070287745-A1 Laulimalide Analogs and Uses Thereof LPXN, MLX, ZYX ALOX15 741/4885SMYD2 919/4885CYP3A4 4193/4885

“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.