SCHEMBL1201033

SCHEMBL1201033

CC[Si](CC)(CC)OOC(C#N)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.36
TSHR P16473 1/20 0.36
PBRM1 Q86U86 1/20 0.33
LMNA P02545 1/20 0.32
ALDH1A1 P00352 5/20 0.32
GAA P10253 3/20 0.32
NPC1 O15118 1/20 0.32
POLB P06746 1/20 0.32
RAB9A P51151 1/20 0.32
HTT P42858 2/20 0.32
TDP1 Q9NUW8 1/20 0.31
MIF P14174 1/20 0.31
HPGD P15428 3/20 0.31
GFER P55789 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KDM4E B2RXH2 1/20 0.31
USP2 O75604 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL1201040 0.87 TRPA1 (0.34) TRPA1TSHRPBRM1LMNAALDH1A1
SCHEMBL1200837 0.81 TRPA1 (0.39) TRPA1TSHRPBRM1ALDH1A1GAA
SCHEMBL1200540 0.77 TRPA1 (0.39) TRPA1TSHRPBRM1LMNAALDH1A1
SCHEMBL1200657 0.75 TRPA1 (0.35) TRPA1TSHRALDH1A1GAANPC1
SCHEMBL9758610 0.75 ADRA2A (0.37) TRPA1LMNAHTT
SCHEMBL1199568 0.74 TRPA1 (0.43) TRPA1TSHRPBRM1LMNAALDH1A1
SCHEMBL1200819 0.73 TRPA1 (0.42) TRPA1TSHRPBRM1LMNAALDH1A1
SCHEMBL27836981 0.73 TSHR (0.42) TRPA1TSHRPBRM1LMNAGAA
SCHEMBL1200547 0.73 TSHR (0.42) TRPA1TSHRPBRM1LMNAGAA
SCHEMBL1201037 0.71 LTA4H (0.47) TSHRPBRM1ALDH1A1GAANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8309753-B2 Method for producing optically active cyanohydrin compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-11-13 US disclosed
US-20110034718-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYANOHYDRIN COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-02-10 US disclosed
EP-2264005-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYANOHYDRIN COMPOUND Sumitomo Chemical Company, Limited (JP) 2010-12-22 EP 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-20110034718-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYANOHYDRIN COMPOUND CBR3, ACSL3, CCNL2 TRPA1 1105/4885TSHR 4501/4885PBRM1 3722/4885

“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.