SCHEMBL1040232

SCHEMBL1040232

CC(O)CO[Si](c1ccccc1)(C(C)(C)C)C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.35
TRPA1 O75762 1/20 0.35
CYP2D6 P10635 2/20 0.34
RIPK1 Q13546 2/20 0.33
ADRB2 P07550 3/20 0.33
ADRB1 P08588 3/20 0.33
ADRB3 P13945 3/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
AOC3 Q16853 1/20 0.32
SLC6A4 P31645 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
SCHEMBL644521 0.83 LMNA (0.46) LMNAMAPK1TRPA1CYP2D6RIPK1
SCHEMBL644520 0.83 LMNA (0.46) LMNAMAPK1TRPA1CYP2D6RIPK1
SCHEMBL13739244 0.83 LMNA (0.46) LMNAMAPK1TRPA1CYP2D6RIPK1
Trifluoroacetic Acid SCHEMBL31316324 0.79 LMNA (0.39) LMNAADRB2ADRB1ADRB3TSHR
SCHEMBL16248050 0.77 LMNA (0.50) LMNAMAPK1TRPA1CYP2D6ADRB2
SCHEMBL703501 0.76 LTA4H (0.32) MAPK1RIPK1KDM4EALDH1A1
SCHEMBL19440164 0.74 LMNA (0.47) LMNAMAPK1CYP2D6ADRB2ADRB1
SCHEMBL707647 0.73 LMNA (0.35) LMNAMAPK1KDM4EALDH1A1
SCHEMBL714783 0.72 RIPK1 (0.34) MAPK1RIPK1ALDH1A1
SCHEMBL24312400 0.70 CYP2D6 (0.38) LMNACYP2D6ADRB2ADRB1ADRB3

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
US-8673942-B2 Fused ring compounds and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-03-18 US disclosed
US-20110098297-A1 FUSED RING COMPOUNDS AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-04-28 US disclosed
EP-2276760-A1 FUSED RING COMPOUNDS AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2011-01-26 EP disclosed
WO-2009125873-A1 FUSED RING COMPOUNDS AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-15 WO 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 (1 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-20110098297-A1 FUSED RING COMPOUNDS AND USE THEREOF GCKR, GPR119, SLC5A1 LMNA 4368/4885MAPK1 517/4885TRPA1 2659/4885

“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.