SCHEMBL989764

SCHEMBL989764

Cc1cccc([SiH2]c2ccccc2)c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.38
ATM Q13315 1/20 0.38
TSHR P16473 4/20 0.38
ACHE P22303 3/20 0.38
ALDH1A1 P00352 4/20 0.33
CYP1A2 P05177 3/20 0.33
CYP2A6 P11509 3/20 0.33
TDP1 Q9NUW8 3/20 0.33
LMNA P02545 2/20 0.33
MEN1 O00255 1/20 0.33
AKR1B10 O60218 1/20 0.33
ABCB11 O95342 1/20 0.33
DHFR P00374 1/20 0.33
MPO P05164 1/20 0.33
CYP3A4 P08684 1/20 0.33
CHRM1 P11229 1/20 0.33
CYP2C9 P11712 1/20 0.33
AKR1B1 P15121 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 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
SCHEMBL28634226 0.92 TRPA1 (0.38) TRPA1ATMTSHRACHEALDH1A1
SCHEMBL9694930 0.85 TRPA1 (0.37) TRPA1ATMTSHRACHEALDH1A1
SCHEMBL28040867 0.84 TSHR (0.37) TRPA1ATMTSHRACHECYP1A2
SCHEMBL2453373 0.84 TSHR (0.43) TSHRACHEALDH1A1CYP1A2CYP2A6
SCHEMBL2328588 0.80 ESR1 (0.33) TRPA1ATM
SCHEMBL9462988 0.79 RAPGEF4 (0.39) TRPA1ATMTSHRACHEALDH1A1
SCHEMBL10950619 0.79 ALDH1A1 (0.41) TRPA1ATMTSHRACHEALDH1A1
SCHEMBL7036469 0.77 ALDH1A1 (0.38) TRPA1ATMTSHRALDH1A1TDP1
SCHEMBL9138643 0.77 CYP2A6 (0.39) ALDH1A1CYP1A2CYP2A6TDP1CYP3A4
SCHEMBL9694610 0.77 TRPA1 (0.34) TRPA1ATMTSHRALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111033862-A Method for inhibiting decomposition of silyl ester compound 株式会社艾迪科 2020-04-17 CN disclosed
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 TRPA1 1563/4885ATM 3172/4885TSHR 4573/4885
US-20110009646-A1 RUTHENIUM-DIAMINE COMPLEX AND METHODS FOR PRODUCING OPTICALLY ACTIVE COMPOUNDS ADH5, AOC1, ADH1A TRPA1 1431/4885ATM 2758/4885TSHR 2921/4885

“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.