SCHEMBL4092737

SCHEMBL4092737

CC1(C)CN([C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c2ccc(F)cc2)C(=O)C(O)O1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMYD2 Q9NRG4 3/20 0.37
CYP3A4 P08684 4/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD11B1 P28845 2/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 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
SCHEMBL4093434 0.83 SMYD2 (0.34) SMYD2CYP3A4HSD11B1CYP2C9CYP2C19
SCHEMBL4336071 0.75 HSD11B1 (0.34) SMYD2HSD11B1
SCHEMBL4082948 0.74 SMYD2 (0.33) SMYD2
SCHEMBL4330294 0.73 CYP3A4 (0.31) CYP3A4HSD11B1CYP2C9CYP2C19
SCHEMBL4338971 0.71 CYP3A4 (0.30) CYP3A4HSD11B1CYP2C9CYP2C19
SCHEMBL13059064 0.70 MEN1 (0.49) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL15019827 0.69 ALDH1A1 (0.36) CYP3A4HTTSMN1; SMN2CYP2C9CYP2C19
SCHEMBL4340177 0.68 SMYD2 (0.32) SMYD2CYP3A4HTTHSD11B1CYP2C9
SCHEMBL4082762 0.68 SMYD2 (0.32) SMYD2CYP3A4HTTHSD11B1CYP2C9
SCHEMBL4340180 0.68 SMYD2 (0.32) SMYD2CYP3A4HTTHSD11B1CYP2C9

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7618960-B2 Morpholine type cinnamide compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-11-17 US disclosed
US-20090203697-A1 HETEROCYCLIC TYPE CINNAMIDE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-08-13 US disclosed
EP-2019094-A1 HETEROCYCLIC TYPE CINNAMIDE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2009-01-28 EP disclosed
EP-1953154-A1 MORPHOLINE TYPE CINNAMIDE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2008-08-06 EP disclosed
US-20070117798-A1 Morpholine type cinnamide compound EISAI R&D MANAGEMENT CO., LTD. 2007-05-24 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-20070117798-A1 Morpholine type cinnamide compound MLX, XDH, NOX4 SMYD2 3033/4885CYP3A4 56/4885HTT 4326/4885
US-20090203697-A1 HETEROCYCLIC TYPE CINNAMIDE DERIVATIVE CLIC4, NR3C2, MAN2B1 SMYD2 3006/4885CYP3A4 43/4885HTT 3885/4885

“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.