SCHEMBL988672

SCHEMBL988672

Cc1cccc([SiH2]Cc2ccccc2)c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.37
ALDH1A1 P00352 3/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
TRPA1 O75762 1/20 0.34
ATM Q13315 1/20 0.34
CRHBP P24387 1/20 0.34
NPBWR1 P48145 1/20 0.34
CRHR2 Q13324 1/20 0.34
MCHR1 Q99705 1/20 0.34
TP53 P04637 1/20 0.33
SCN4A P35499 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
TSHR P16473 1/20 0.33
ACHE P22303 1/20 0.33

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
SCHEMBL9223934 0.81 POLB (0.42) POLBALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL2057989 0.77 CA1 (0.35) POLBALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL9217674 0.77 TRPA1 (0.41) ALDH1A1MAPTMAPK1TDP1SMN1; SMN2
SCHEMBL7033569 0.74 TRPA1 (0.38) ALDH1A1MAPTTDP1SMN1; SMN2TRPA1
SCHEMBL852173 0.74 TRPA1 (0.38) ALDH1A1TDP1SMN1; SMN2TRPA1ATM
SCHEMBL9343766 0.74 TRPA1 (0.38) ALDH1A1MAPTTDP1SMN1; SMN2TRPA1
SCHEMBL10523368 0.74 TRPA1 (0.38) ALDH1A1TDP1SMN1; SMN2TRPA1ATM
SCHEMBL6340796 0.74 TRPA1 (0.43) POLBALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL8038880 0.73 GABRA1 (0.33) TRPA1ATM
SCHEMBL1470830 0.71 TRPA1 (0.40) ALDH1A1KMT2AMAPTMAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2275427-B1 Ruthenium-diamine complex and methods for producing optically active compounds TAKASAGO PERFUMERY CO LTD (JP) 2013-09-11 EP disclosed
US-8404879-B2 Ruthenium-diamine complex and methods for producing optically active compounds TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-03-26 US disclosed
EP-2258707-B1 Ruthenium silyl-arene complexes, and method for production thereof TAKASAGO PERFUMERY CO LTD (JP) 2013-03-06 EP disclosed
US-7880025-B2 complexing trimethyl(4-methyl-1,4-cyclohexadienyl)silane with ruthenium chloride to produce RuCl2 [trimethyl (4-methyl-1,4-cyclohexadienyl) silane] TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-02-01 US disclosed
EP-2275427-A1 Ruthenium-diamine complex and methods for producing optically active compounds Takasago International Corporation (JP) 2011-01-19 EP disclosed
US-20110009646-A1 RUTHENIUM-DIAMINE COMPLEX AND METHODS FOR PRODUCING OPTICALLY ACTIVE COMPOUNDS TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-01-13 US disclosed
EP-2258707-A1 Ruthenium silyl-arene complexes, and method for production thereof Takasago International Corporation (JP) 2010-12-08 EP disclosed
US-20100298588-A1 RUTHENIUM SILYL-ARENE COMPLEX , AND METHOD FOR PRODUCTION THEREOF TAKASAGO INTERNATIONAL CORPORATION (JP) 2010-11-25 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-20100298588-A1 RUTHENIUM SILYL-ARENE COMPLEX , AND METHOD FOR PRODUCTION THEREOF SPR, LSS, SRI POLB 4534/4885ALDH1A1 2369/4885KMT2A 3917/4885
US-20110009646-A1 RUTHENIUM-DIAMINE COMPLEX AND METHODS FOR PRODUCING OPTICALLY ACTIVE COMPOUNDS ADH5, AOC1, ADH1A POLB 1131/4885ALDH1A1 54/4885KMT2A 2368/4885

“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.