SCHEMBL1199978

SCHEMBL1199978

CSCOC(C#N)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
TRPA1 O75762 1/20 0.38
PBRM1 Q86U86 1/20 0.34
SCN1A P35498 3/20 0.33
SCN2A Q99250 3/20 0.33
SCN3A Q9NY46 3/20 0.33
LMNA P02545 3/20 0.33
CYP2D6 P10635 2/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
HTR2A P28223 2/20 0.33
HRH1 P35367 2/20 0.33
KCNH2 Q12809 2/20 0.33
CYP1A2 P05177 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
ADRA2A P08913 1/20 0.33
CHRM1 P11229 1/20 0.33
ADRA2B P18089 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
SCHEMBL27836909 1.00 TSHR (0.38) TSHRTRPA1PBRM1SCN1ASCN2A
SCHEMBL27836910 0.83 TSHR (0.36) TSHRTRPA1PBRM1SCN1ASCN2A
SCHEMBL1200210 0.83 TSHR (0.36) TSHRTRPA1PBRM1SCN1ASCN2A
SCHEMBL1200863 0.83 TSHR (0.36) TSHRTRPA1PBRM1SCN1ASCN2A
SCHEMBL1200645 0.81 ALDH1A1 (0.38) TSHRTRPA1PBRM1MAPK1ALDH1A1
SCHEMBL27836981 0.79 TSHR (0.42) TSHRTRPA1PBRM1SCN1ASCN2A
SCHEMBL1200547 0.79 TSHR (0.42) TSHRTRPA1PBRM1SCN1ASCN2A
SCHEMBL1200950 0.76 TSHR (0.39) TSHRTRPA1PBRM1SCN1ASCN2A
SCHEMBL27837012 0.76 TSHR (0.39) TSHRTRPA1PBRM1SCN1ASCN2A
SCHEMBL3733672 0.76 SLC6A2 (0.45) TSHRTRPA1LMNACYP2D6SLC6A2

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 TSHR 4501/4885TRPA1 1105/4885PBRM1 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.