SCHEMBL1200408

SCHEMBL1200408

COCCc1ccccc1C(O)C#N

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.39
KDM4E B2RXH2 7/20 0.34
MAPT P10636 5/20 0.34
CASP1 P29466 5/20 0.34
HSD17B10 Q99714 4/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
CASP7 P55210 4/20 0.32
ALDH1A1 P00352 3/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
HPGD P15428 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
GAA P10253 1/20 0.30
ALOX15 P16050 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
SCHEMBL1200951 0.83 TSHR (0.41) TSHRKDM4EMAPTCASP1HSD17B10
SCHEMBL27836988 0.79 CYSLTR2 (0.43) TSHR
SCHEMBL1200548 0.78 TSHR (0.45) TSHRMAPTALDH1A1MEN1KMT2A
SCHEMBL1200866 0.77 TSHR (0.39) TSHR
SCHEMBL1199361 0.74 TSHR (0.39) TSHRKDM4EMAPTCASP1HSD17B10
SCHEMBL1199980 0.73 TSHR (0.41) TSHRTDP1
SCHEMBL30278981 0.72 TSHR (0.45) TSHRKDM4EALDH1A1
SCHEMBL2873340 0.72 TSHR (0.45) TSHRKDM4EALDH1A1
SCHEMBL13937393 0.72 TSHR (0.61) TSHRKDM4EMAPTALDH1A1MEN1
SCHEMBL1199570 0.72 TSHR (0.47) TSHRKDM4EMAPTHSD17B10ALDH1A1

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 4501/4885KDM4E 1728/4885MAPT 4100/4885

“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.