SCHEMBL4498947

SCHEMBL4498947

CC(C)(C)[Si](C)(C)OC1CC2CCCC(=O)N2C(c2ccc(F)cc2)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
TSHR P16473 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HCRTR1 O43613 2/20 0.33
HCRTR2 O43614 2/20 0.33
P2RX7 Q99572 2/20 0.32
GAA P10253 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
CHRM1 P11229 2/20 0.30
SLC6A3 Q01959 2/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
HRH1 P35367 1/20 0.30
SLC6A2 P23975 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
SCHEMBL4511386 1.00 ALDH1A1 (0.36) ALDH1A1TSHRMEN1KMT2AHCRTR1
SCHEMBL12096386 1.00 ALDH1A1 (0.36) ALDH1A1TSHRMEN1KMT2AHCRTR1
SCHEMBL4498950 1.00 ALDH1A1 (0.36) ALDH1A1TSHRMEN1KMT2AHCRTR1
SCHEMBL4509787 0.89 HDAC1 (0.36) MEN1KMT2AHCRTR1HCRTR2NPSR1
SCHEMBL12096393 0.89 HDAC1 (0.36) MEN1KMT2AHCRTR1HCRTR2NPSR1
SCHEMBL4509783 0.89 HDAC1 (0.36) MEN1KMT2AHCRTR1HCRTR2NPSR1
SCHEMBL4501581 0.88 RIPK1 (0.41) ALDH1A1KMT2AP2RX7HTR7
SCHEMBL4518142 0.88 RIPK1 (0.41) ALDH1A1KMT2AP2RX7HTR7
SCHEMBL4514623 0.77 ALDH1A1 (0.35) ALDH1A1TSHRMEN1KMT2AHCRTR1
SCHEMBL4514628 0.77 ALDH1A1 (0.35) ALDH1A1TSHRMEN1KMT2AHCRTR1

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 ALDH1A1 869/4885TSHR 4749/4885MEN1 184/4885
US-20070117839-A1 Two cyclic cinnamide compound APP, BACE1, PSEN1 ALDH1A1 869/4885TSHR 4749/4885MEN1 184/4885

“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.