SCHEMBL1200819

SCHEMBL1200819

CC(C)OOC(C#N)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.42
TSHR P16473 1/20 0.42
MIF P14174 2/20 0.34
ALDH1A1 P00352 5/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPT P10636 2/20 0.34
HSD17B10 Q99714 2/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
TAAR1 Q96RJ0 2/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C1 Q04828 1/20 0.33
THRB P10828 1/20 0.33
PBRM1 Q86U86 1/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 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
SCHEMBL28792130 0.82 TRPA1 (0.43) TRPA1TSHRMIFALDH1A1KDM4E
SCHEMBL1201089 0.82 TRPA1 (0.43) TRPA1TSHRMIFALDH1A1KDM4E
SCHEMBL1199568 0.82 TRPA1 (0.43) TRPA1TSHRALDH1A1KDM4EMAPT
SCHEMBL1201168 0.80 TSHR (0.42) TRPA1TSHRALDH1A1USP2HPGD
SCHEMBL1200540 0.77 TRPA1 (0.39) TRPA1TSHRMIFALDH1A1KDM4E
SCHEMBL1200837 0.77 TRPA1 (0.39) TRPA1TSHRALDH1A1KDM4EMAPT
SCHEMBL198464 0.77 TSHR (0.46) TRPA1TSHRALDH1A1MEN1KMT2A
SCHEMBL27625768 0.77 TSHR (0.46) TRPA1TSHRALDH1A1MEN1KMT2A
SCHEMBL198465 0.77 TSHR (0.46) TRPA1TSHRALDH1A1MEN1KMT2A
SCHEMBL21114422 0.76 TSHR (0.50) TRPA1TSHRALDH1A1USP2HPGD

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 4501/4885MIF 4439/4885

“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.