SCHEMBL1200657

SCHEMBL1200657

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

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.35
TSHR P16473 1/20 0.35
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
RAB9A P51151 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
ATM Q13315 1/20 0.31
AOC3 Q16853 1/20 0.30
CTSS P25774 1/20 0.30
CTSK P43235 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
SCHEMBL9298473 0.83 TRPA1 (0.37) TRPA1TSHRNPC1ALDH1A1POLB
SCHEMBL8965119 0.83 TRPA1 (0.37) TRPA1TSHRNPC1ALDH1A1POLB
SCHEMBL7825330 0.83 TRPA1 (0.37) TRPA1TSHRNPC1ALDH1A1POLB
SCHEMBL1200837 0.83 TRPA1 (0.39) TRPA1TSHRNPC1ALDH1A1POLB
SCHEMBL1201033 0.75 TRPA1 (0.36) TRPA1TSHRNPC1ALDH1A1POLB
SCHEMBL1199568 0.73 TRPA1 (0.43) TRPA1TSHRNPC1ALDH1A1POLB
SCHEMBL1201040 0.73 TRPA1 (0.34) TRPA1TSHRNPC1ALDH1A1POLB
SCHEMBL1199901 0.73 TRPA1 (0.39) TRPA1TSHRALDH1A1CTSSCTSK
SCHEMBL9297144 0.72 TRPA1 (0.36) TRPA1TSHRNPC1ALDH1A1POLB
SCHEMBL3295316 0.72 TRPA1 (0.42) TRPA1TSHRNPC1ALDH1A1POLB

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 4501/4885NPC1 2602/4885

“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.