SCHEMBL4516522

SCHEMBL4516522

CC(C)(C)[Si](OC[C@H]1COCC(=O)N1C(=O)O)(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMYD2 Q9NRG4 3/20 0.41
CYP3A4 P08684 2/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MGAM O43451 1/20 0.33
RIPK1 Q13546 1/20 0.32
GRM5 P41594 2/20 0.31
OPRM1 P35372 1/20 0.31
AGTR2 P50052 1/20 0.31
P2RX7 Q99572 2/20 0.30
CTSL P07711 1/20 0.30
CTSS P25774 1/20 0.30
CTSK P43235 1/20 0.30

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
SCHEMBL4516524 1.00 SMYD2 (0.41) SMYD2CYP3A4HTTSMN1; SMN2MGAM
SCHEMBL2590322 0.89 SMYD2 (0.40) SMYD2CYP3A4HTTSMN1; SMN2RIPK1
SCHEMBL1293270 0.83 SMYD2 (0.39) SMYD2CYP3A4HTTSMN1; SMN2RIPK1
SCHEMBL17959617 0.83 SMYD2 (0.39) SMYD2CYP3A4HTTSMN1; SMN2RIPK1
SCHEMBL29007936 0.83 SMYD2 (0.39) SMYD2CYP3A4HTTSMN1; SMN2RIPK1
SCHEMBL21802089 0.82 FKBP1A (0.35)
SCHEMBL15348588 0.81 SMYD2 (0.38) SMYD2CYP3A4HTTSMN1; SMN2RIPK1
SCHEMBL554843 0.79 SMYD2 (0.40) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL2590323 0.78 SMYD2 (0.38) SMYD2CYP3A4HTTSMN1; SMN2RIPK1
SCHEMBL2578618 0.78 AGTR2 (0.37) CYP3A4RIPK1AGTR2P2RX7CTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1953158-B1 BICYCLIC CINNAMIDE COMPOUND EISAI R&D MAN CO LTD (JP) 2012-09-12 EP disclosed
US-20090181945-A1 TWO CYCLIC CINNAMIDE COMPOUND KIMURA TEIJI 2009-07-16 US disclosed
EP-1953158-A1 BICYCLIC CINNAMIDE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2008-08-06 EP disclosed
US-20070117839-A1 Two cyclic 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-20090181945-A1 TWO CYCLIC CINNAMIDE COMPOUND APP, BACE1, PSEN1 SMYD2 2686/4885CYP3A4 3088/4885HTT 544/4885
US-20070117839-A1 Two cyclic cinnamide compound APP, BACE1, PSEN1 SMYD2 2686/4885CYP3A4 3088/4885HTT 544/4885

“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.