SCHEMBL4509783

SCHEMBL4509783

CC(C)(C)[Si](C)(C)OC1CC2CCCC(=O)N2C(c2ccccc2)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.36
HDAC8 Q9BY41 3/20 0.36
HDAC6 Q9UBN7 3/20 0.36
HDAC5 Q9UQL6 1/20 0.36
RIPK1 Q13546 5/20 0.35
HTT P42858 1/20 0.35
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
THRB P10828 1/20 0.31
LMNA P02545 1/20 0.31
OPRM1 P35372 2/20 0.31
OPRK1 P41145 2/20 0.31
OPRL1 P41146 2/20 0.31
OPRD1 P41143 1/20 0.31

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
SCHEMBL4509787 1.00 HDAC1 (0.36) HDAC1HDAC8HDAC6HDAC5RIPK1
SCHEMBL12096393 1.00 HDAC1 (0.36) HDAC1HDAC8HDAC6HDAC5RIPK1
SCHEMBL12096386 0.89 ALDH1A1 (0.36) CHRM1MEN1KMT2ANPSR1LMNA
SCHEMBL4498947 0.89 ALDH1A1 (0.36) CHRM1MEN1KMT2ANPSR1LMNA
SCHEMBL4498950 0.89 ALDH1A1 (0.36) CHRM1MEN1KMT2ANPSR1LMNA
SCHEMBL4511386 0.89 ALDH1A1 (0.36) CHRM1MEN1KMT2ANPSR1LMNA
SCHEMBL4501581 0.88 RIPK1 (0.41) HDAC1HDAC6RIPK1KMT2A
SCHEMBL4518142 0.88 RIPK1 (0.41) HDAC1HDAC6RIPK1KMT2A
SCHEMBL4511389 0.74 HTT (0.46) HDAC1HDAC8HDAC6HDAC5RIPK1
SCHEMBL4511390 0.74 HTT (0.46) HDAC1HDAC8HDAC6HDAC5RIPK1

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 HDAC1 1001/4885HDAC8 2666/4885HDAC6 2232/4885
US-20070117839-A1 Two cyclic cinnamide compound APP, BACE1, PSEN1 HDAC1 1001/4885HDAC8 2666/4885HDAC6 2232/4885

“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.