SCHEMBL1201034

SCHEMBL1201034

CC[Si](CC)(CC)Oc1ccccc1C(O)C#N

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
ALDH1A1 P00352 5/20 0.34
CYP1A2 P05177 3/20 0.33
KDM4E B2RXH2 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP2C9 P11712 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
GAA P10253 1/20 0.32
ALOX15 P16050 1/20 0.32
SGMS2 Q8NHU3 6/20 0.32
LMNA P02545 3/20 0.31
AGTR1 P30556 1/20 0.31
CYP2C19 P33261 2/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL1201041 0.88 TSHR (0.36) TSHRALDH1A1CYP1A2KDM4EMEN1
SCHEMBL1200839 0.82 TSHR (0.41) TSHRALDH1A1CYP1A2KDM4ECYP2C9
SCHEMBL1200542 0.80 CTDSP1 (0.46) TSHRALDH1A1CYP1A2KDM4EMEN1
SCHEMBL1199570 0.78 TSHR (0.47) TSHRALDH1A1CYP1A2KDM4EMEN1
SCHEMBL22144397 0.78 TSHR (0.47) TSHRALDH1A1CYP1A2KDM4EMEN1
SCHEMBL1200658 0.77 TSHR (0.37) TSHRALDH1A1
SCHEMBL27836366 0.76 PPARG (0.41) TSHRALDH1A1CYP1A2KDM4EMEN1
SCHEMBL1901084 0.76 PPARG (0.41) TSHRALDH1A1CYP1A2KDM4EMEN1
SCHEMBL1200910 0.75 ELANE (0.43) TSHRALDH1A1CYP1A2KDM4EMEN1
SCHEMBL1899824 0.75 CYP1A2 (0.47) ALDH1A1CYP1A2KDM4EMEN1KMT2A

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 4501/4885ALDH1A1 129/4885CYP1A2 378/4885

“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.