SCHEMBL2549902

SCHEMBL2549902

Cc1cccc([Si](O)(c2cccc(C)c2C)c2cccc(C)c2C)c1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.48
ATM Q13315 1/20 0.48
ALDH1A1 P00352 4/20 0.42
CYP1A2 P05177 2/20 0.38
CYP2A6 P11509 1/20 0.38
TSHR P16473 2/20 0.36
ACHE P22303 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
MAPT P10636 3/20 0.34
POLB P06746 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
GAA P10253 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
SCHEMBL1686698 0.85 TRPA1 (0.48) TRPA1ATMALDH1A1CYP1A2CYP2A6
SCHEMBL1686740 0.85 TRPA1 (0.48) TRPA1ATMALDH1A1CYP1A2CYP2A6
SCHEMBL9359930 0.83 TRPA1 (0.46) TRPA1ATMALDH1A1CYP1A2CYP2A6
SCHEMBL7622771 0.79 TRPA1 (0.43) TRPA1ATMALDH1A1CYP1A2CYP2A6
SCHEMBL2941539 0.79 ACHE (0.47) TRPA1ATMALDH1A1CYP1A2CYP2A6
SCHEMBL986311 0.77 TRPA1 (0.44) TRPA1ATMALDH1A1CYP1A2CYP2A6
SCHEMBL2551634 0.77 KDM4E (0.33) TRPA1ATMCYP1A2CYP2A6TSHR
SCHEMBL7778415 0.77 TRPA1 (0.44) TRPA1ATMALDH1A1CYP1A2CYP2A6
SCHEMBL4350897 0.76 TRPA1 (0.40) TRPA1ATMALDH1A1CYP1A2CYP2A6
SCHEMBL16707401 0.75 TRPA1 (0.42) TRPA1ATMALDH1A1CYP1A2CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8993470-B2 Catalysts for the alkyne metathesis STUDIENGESELLSCHAFT KOHLE MBH (DE) 2015-03-31 US disclosed
EP-2556078-B1 CATALYSTS FOR ALKYNE METATHESIS STUDIENGESELLSCHAFT KOHLE MBH (DE) 2014-09-24 EP disclosed
US-20130144102-A1 CATALYSTS FOR THE ALKYNE METATHESIS STUDIENGESELLSCHAFT KOHLE MBH (DE) 2013-06-06 US disclosed
EP-2556078-A1 CATALYSTS FOR ALKYNE METATHESIS Studiengesellschaft Kohle MbH (DE) 2013-02-13 EP disclosed
WO-2011120508-A1 CATALYSTS FOR ALKYNE METATHESIS STUDIENGESELLSCHAFT KOHLE MBH (DE) 2011-10-06 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-20130144102-A1 CATALYSTS FOR THE ALKYNE METATHESIS MSH6, AP3M1, PMS2 TRPA1 3700/4885ATM 507/4885ALDH1A1 1300/4885

“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.