SCHEMBL989253

SCHEMBL989253

Cc1cccc([Si](C(C)C)(C(C)C)C(C)C)c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.39
ATM Q13315 1/20 0.39
ADRA2A P08913 4/20 0.37
ADRA2B P18089 4/20 0.37
ADRA2C P18825 4/20 0.37
TSHR P16473 4/20 0.37
ADRA1A P35348 3/20 0.37
ADRA1B P35368 3/20 0.37
CYP1A2 P05177 3/20 0.37
ADRA1D P25100 2/20 0.37
KCNH2 Q12809 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C9 P11712 2/20 0.37
TP53 P04637 1/20 0.37
CYP2C19 P33261 1/20 0.37
SLC6A2 P23975 1/20 0.36
HTR7 P34969 1/20 0.36
CYP2A6 P11509 1/20 0.35
CA1 P00915 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
SCHEMBL987729 0.81 ACHE (0.43) TSHRCYP1A2CYP3A4CYP2A6CA1
SCHEMBL986311 0.73 TRPA1 (0.44) TRPA1ATMADRA2AADRA2BADRA2C
SCHEMBL7778415 0.73 TRPA1 (0.44) TRPA1ATMADRA2AADRA2BADRA2C
SCHEMBL29022770 0.72 TRPA1 (0.35) TRPA1ATMADRA2AADRA2BADRA2C
SCHEMBL28862303 0.72 TRPA1 (0.35) TRPA1ATMADRA2AADRA2BADRA2C
SCHEMBL2549902 0.71 TRPA1 (0.48) TRPA1ATMTSHRCYP1A2CYP3A4
SCHEMBL16707401 0.71 TRPA1 (0.42) TRPA1ATMADRA2AADRA2BADRA2C
SCHEMBL1686698 0.71 TRPA1 (0.48) TRPA1ATMTSHRCYP1A2CYP3A4
SCHEMBL1318674 0.71 TRPA1 (0.42) TRPA1ATMADRA2AADRA2BADRA2C
SCHEMBL1686740 0.71 TRPA1 (0.48) TRPA1ATMADRA2AADRA2BADRA2C

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-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-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

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-20110009646-A1 RUTHENIUM-DIAMINE COMPLEX AND METHODS FOR PRODUCING OPTICALLY ACTIVE COMPOUNDS ADH5, AOC1, ADH1A TRPA1 1431/4885ATM 2758/4885ADRA2A 570/4885

“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.