SCHEMBL1200645

SCHEMBL1200645

N#CC(OCSc1ccccc1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 2/20 0.38
TSHR P16473 2/20 0.37
TRPA1 O75762 1/20 0.37
MAOA P21397 4/20 0.34
MAOB P27338 4/20 0.34
FFAR1 O14842 1/20 0.32
MMP3 P08254 1/20 0.32
NPC1 O15118 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
RAB9A P51151 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PBRM1 Q86U86 1/20 0.30
MAP2K1 Q02750 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
SCHEMBL27836909 0.81 TSHR (0.38) ALDH1A1MAPK1TSHRTRPA1PBRM1
SCHEMBL1199978 0.81 TSHR (0.38) ALDH1A1MAPK1TSHRTRPA1PBRM1
SCHEMBL1200210 0.78 TSHR (0.36) ALDH1A1MAPK1TSHRTRPA1NPC1
SCHEMBL1201164 0.75 L3MBTL1 (0.37) ALDH1A1GAATDP1L3MBTL1
SCHEMBL4775948 0.74 TRPA1 (0.47) MAPK1TSHRTRPA1PBRM1
SCHEMBL3733672 0.74 SLC6A2 (0.45) ALDH1A1TSHRTRPA1MAOB
SCHEMBL27836981 0.74 TSHR (0.42) MAPK1TSHRTRPA1GAAL3MBTL1
SCHEMBL1200547 0.74 TSHR (0.42) MAPK1TSHRTRPA1GAAL3MBTL1
SCHEMBL3685806 0.71 TRPA1 (0.44) ALDH1A1MAPK1TSHRTRPA1NPC1
SCHEMBL27837012 0.71 TSHR (0.39) ALDH1A1MAPK1TSHRTRPA1PBRM1

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 ALDH1A1 129/4885MAPK1 2037/4885TSHR 4501/4885

“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.