SCHEMBL1200707

SCHEMBL1200707

Cc1ccc(OOC(C#N)c2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
NPSR1 Q6W5P4 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TSHR P16473 2/20 0.37
TRPA1 O75762 1/20 0.37
PBRM1 Q86U86 1/20 0.36
CYP1A2 P05177 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HPGD P15428 1/20 0.34
CYP19A1 P11511 1/20 0.34
LMNA P02545 1/20 0.33
ALOX12 P18054 1/20 0.33
ACHE P22303 1/20 0.33
PKM P14618 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
SCHEMBL1200416 0.86 ALDH1A1 (0.50) ALDH1A1MEN1KMT2ATRPA1PBRM1
SCHEMBL28792157 0.84 ALDH1A1 (0.40) ALDH1A1NPSR1MEN1KMT2ATSHR
SCHEMBL1201131 0.83 LMNA (0.43) ALDH1A1NPSR1MEN1KMT2ATSHR
SCHEMBL1201037 0.82 LTA4H (0.47) ALDH1A1MEN1KMT2ATSHRPBRM1
SCHEMBL1199860 0.80 L3MBTL1 (0.38) ALDH1A1TSHRTRPA1GAAHTT
SCHEMBL1200937 0.78 SCN4A (0.41) ALDH1A1NPSR1KMT2ATSHRTRPA1
SCHEMBL1199568 0.76 TRPA1 (0.43) ALDH1A1MEN1KMT2ATSHRTRPA1
SCHEMBL1199800 0.75 VDR (0.39) ALDH1A1MEN1KMT2ACYP1A2HTT
SCHEMBL1200819 0.74 TRPA1 (0.42) ALDH1A1MEN1KMT2ATSHRTRPA1
SCHEMBL1199792 0.72 TRPA1 (0.37) ALDH1A1NPSR1TSHRTRPA1HTT

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 129/4885NPSR1 4420/4885MEN1 1561/4885

“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.