SCHEMBL5644353

SCHEMBL5644353

C[SiH](C)OCc1c(CO)cccc1C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.36
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PDCD1 Q15116 1/20 0.30
CD274 Q9NZQ7 1/20 0.30
IDO1 P14902 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
SCHEMBL5871242 0.88 CA2 (0.34) CA2GABRA1GABRB2RXRARXRB
SCHEMBL9156184 0.88 CA2 (0.36) CA2GABRA1GABRB2RXRARXRB
SCHEMBL5641590 0.84 CA2 (0.32) CA2IDO1
SCHEMBL5871260 0.82 CA2 (0.31) CA2
SCHEMBL5462776 0.79
SCHEMBL8126308 0.78
SCHEMBL6901839 0.78 CA2 (0.34) CA2GABRA1GABRB2RXRARXRB
SCHEMBL7162294 0.78 CA2 (0.34) CA2GABRA1GABRB2RXRARXRB
SCHEMBL4677041 0.74 CA2 (0.38) CA2GABRA1GABRB2RXRARXRB
SCHEMBL5871097 0.74 ALOX12 (0.33) CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7217697-B2 Glucopyranosyloxypyrazole derivative medicinal composition containing the same medicinal use thereof and intermediate therefor KISSEI PHARMACEUTICAL CO., LTD. (JP) 2007-05-15 US disclosed
US-7071201-B2 Serotonin antagonism; muscle relaxant for myotonia; such as 1-(1-(2-(4-methoxyphenyl)ethyl)piperidin-4-yl)-7-methoxy-1,2,3,4 -tetrahydroquinoline EISAI CO., LTD. (JP) 2006-07-04 US disclosed
EP-0976732-B1 1,4-SUBSTITUTED CYCLIC AMINE DERIVATIVES EISAI CO LTD (JP) 2004-11-24 EP disclosed
US-20040176308-A1 Glucopyranosyloxypyrazole derivative medicinal composition containing the same medicinal use thereof and intermediate therefor KISSEI PHARMACEUTICAL CO., LTD. (JP) 2004-09-09 US disclosed
EP-1400529-A1 GLUCOPYRANOSYLOXYPYRAZOLE DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, MEDICINAL USE THEREOF, AND INTERMEDIATE THEREFOR Kissei Pharmaceutical Co., Ltd. (JP) 2004-03-24 EP disclosed
US-6579881-B2 Indoles EISAI CO., LTD. (JP) 2003-06-17 US disclosed
US-6448243-B1 SEROTONIN ANTAGONIST FOR TREATING, AMELIORATING AND PREVENTING SPASTIC PARALYSIS OR CENTRAL MUSCLE RELAXANTS FOR AMELIORATING MYOTONIA EISAI CO., LTD. (JP) 2002-09-10 US disclosed
US-20020086999-A1 Certain quinoline derivatives EISAI CO., LTD. 2002-07-04 US disclosed
US-20020019531-A1 Indoles EISAI CO., LTD. 2002-02-14 US disclosed
EP-0976732-A1 1,4-SUBSTITUTED CYCLIC AMINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-02-02 EP disclosed
US-5614634-A Leukotriene-B4 derivatives, process for their production and their use as pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 1997-03-25 US disclosed
US-5440044-A Leukotriene-B4 derivatives, process for their production and their use as pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 1995-08-08 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 (3 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-20020019531-A1 Indoles INMT, MUSK, MB CA2 256/4885GABRA1 508/4885GABRB2 486/4885
US-20020086999-A1 Certain quinoline derivatives CHRM1, CHRNA5, CHRNA4 CA2 577/4885GABRA1 473/4885GABRB2 336/4885
US-20040176308-A1 Glucopyranosyloxypyrazole derivative medicinal composition containing the same medicinal use thereof and intermediate therefor SLC5A1, SLC5A2, UGGT1 CA2 1839/4885GABRA1 742/4885GABRB2 961/4885

“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.