SCHEMBL10046358

SCHEMBL10046358

CSC(CC=O)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 2/20 0.34
TAAR1 Q96RJ0 4/20 0.33
HTR2A P28223 2/20 0.33
LMNA P02545 2/20 0.33
HRH1 P35367 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KDM4E B2RXH2 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAPT P10636 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
CYP1A2 P05177 1/20 0.32
HIF1A Q16665 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TRPA1 O75762 1/20 0.32

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
SCHEMBL24092180 0.80 CYP2C19 (0.47) CYP2C19TAAR1HTR2ALMNAHRH1
SCHEMBL23531275 0.79 RIPK1 (0.34) CYP2D6CYP2C19KMT2ATAAR1HTR2A
SCHEMBL23531297 0.78 CYP2D6 (0.34) CYP2D6CYP2C19TAAR1HTR2ASLC6A3
SCHEMBL1894870 0.78 SMN1; SMN2 (0.39) CYP2D6CYP2C19KMT2ALMNAKDM4E
SCHEMBL1889809 0.75 MAPT (0.43) KMT2ALMNASLC6A3TDP1L3MBTL1
SCHEMBL13654815 0.74 LMNA (0.48) KMT2ATAAR1HTR2ALMNAHRH1
SCHEMBL68782 0.73 HTR2A (0.46) CYP2D6CYP2C19TAAR1HTR2AHRH1
SCHEMBL11479295 0.73 SOAT1 (0.40) HTR2ATDP1
SCHEMBL7239847 0.72 TAAR1 (0.52) CYP2D6CYP2C19TAAR1HTR2AHRH1
SCHEMBL14191123 0.72 TAAR1 (0.52) CYP2D6TAAR1TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101803-B2 Process for the addition of thiolates to α,β-unsaturated carbonyl or sulfonyl compounds DOW AGROSCIENCES LLC (US) 2012-01-24 US disclosed
US-20100048939-A1 PROCESS FOR THE ADDITION OF THIOLATES TO ?,?-UNSATURATED CARBONYL OR SULFONYL COMPOUNDS DOW AGROSCIENCES LLC (US) 2010-02-25 US 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-20100048939-A1 PROCESS FOR THE ADDITION OF THIOLATES TO ?,?-UNSATURATED CARBONYL OR SULFONYL COMPOUNDS CBS, TST, KCNJ1 CYP2D6 2487/4885CYP2C19 3374/4885KMT2A 2937/4885

“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.