SCHEMBL1200837

SCHEMBL1200837

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

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.39
TSHR P16473 1/20 0.39
ALDH1A1 P00352 8/20 0.34
GAA P10253 4/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 3/20 0.33
HTT P42858 1/20 0.32
AKR1C3 P42330 1/20 0.32
AKR1C1 Q04828 1/20 0.32
PBRM1 Q86U86 1/20 0.32
HPGD P15428 3/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
GFER P55789 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL1200657 0.83 TRPA1 (0.35) TRPA1TSHRALDH1A1GAANPC1
SCHEMBL3295316 0.81 TRPA1 (0.42) TRPA1TSHRALDH1A1GAANPC1
SCHEMBL2610138 0.81 TRPA1 (0.42) TRPA1TSHRALDH1A1GAANPC1
SCHEMBL1201033 0.81 TRPA1 (0.36) TRPA1TSHRALDH1A1GAANPC1
SCHEMBL1199568 0.79 TRPA1 (0.43) TRPA1TSHRALDH1A1GAANPC1
SCHEMBL1201040 0.78 TRPA1 (0.34) TRPA1TSHRALDH1A1GAANPC1
SCHEMBL1200819 0.77 TRPA1 (0.42) TRPA1TSHRALDH1A1GAANPC1
SCHEMBL1200540 0.74 TRPA1 (0.39) TRPA1TSHRALDH1A1GAAPOLB
SCHEMBL198464 0.74 TSHR (0.46) TRPA1TSHRALDH1A1GAANPC1
SCHEMBL198465 0.74 TSHR (0.46) TRPA1TSHRALDH1A1GAANPC1

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 4501/4885ALDH1A1 129/4885

“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.