SCHEMBL1200951

SCHEMBL1200951

COCc1ccccc1C(O)C#N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
PDK2 Q15119 1/20 0.33
FFAR1 O14842 1/20 0.33
ALDH1A1 P00352 8/20 0.33
KDM4E B2RXH2 7/20 0.33
SGMS2 Q8NHU3 4/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
HSD17B10 Q99714 5/20 0.32
HPGD P15428 3/20 0.32
PRMT5 O14744 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GAA P10253 3/20 0.32
LMNA P02545 2/20 0.32
GLA P06280 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPK1 P28482 1/20 0.31
RCE1 Q9Y256 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
SCHEMBL1200408 0.83 TSHR (0.39) TSHRALDH1A1KDM4EMEN1KMT2A
SCHEMBL1199361 0.83 TSHR (0.39) TSHRALDH1A1KDM4ESGMS2MEN1
SCHEMBL1200548 0.80 TSHR (0.45) TSHRALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL27854360 0.80 TSHR (0.43) TSHRFFAR1ALDH1A1KDM4ELMNA
SCHEMBL1201002 0.80 TSHR (0.43) TSHRFFAR1ALDH1A1KDM4ELMNA
SCHEMBL15375561 0.79 TSHR (0.42) TSHRSGMS2MEN1KMT2AHPGD
SCHEMBL15375387 0.79 GLRA1 (0.37) TSHRSGMS2HPGDLMNA
SCHEMBL15375368 0.79 FABP4 (0.40) TSHRFFAR1ALDH1A1KDM4ESGMS2
SCHEMBL15375461 0.79 MAPT (0.46) TSHRALDH1A1KDM4ESGMS2MEN1
SCHEMBL15375445 0.79 NISCH (0.43) ALDH1A1KDM4ESGMS2MEN1KMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102007095-B Method for producing optically active cyanohydrin compound SUMITOMO CHEMICAL CO.,LTD. (JP) 2014-10-08 CN disclosed
US-8309753-B2 Method for producing optically active cyanohydrin compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-11-13 US disclosed
CN-102007095-A Method for producing optically active cyanohydrin compound SUMITOMO CHEMICAL CO 2011-04-06 CN 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 4501/4885PDK2 2012/4885FFAR1 4230/4885

“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.