SCHEMBL3496100

SCHEMBL3496100

COCCN(C)C(=O)c1ccc(C=O)s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
TSHR P16473 1/20 0.39
NAMPT P43490 3/20 0.39
HTR7 P34969 1/20 0.38
HDAC4 P56524 1/20 0.36
HSD17B2 P37059 5/20 0.36
HSD17B1 P14061 1/20 0.36
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
ADORA1 P30542 1/20 0.35

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
SCHEMBL14395496 0.81 ITGB3 (0.40) ALDH1A1HDAC4HSD17B2HSD17B1RXFP1
SCHEMBL380228 0.80 HDAC3 (0.39) KDM4EALDH1A1HPGDHDAC4HSD17B2
SCHEMBL7886030 0.76 ALDH1A1 (0.41) KDM4EALDH1A1HPGDHSD17B2HSD17B1
SCHEMBL380229 0.75 KDM4E (0.35) KDM4EHDAC4GAANPSR1RXFP1
SCHEMBL32676101 0.74 ALDH1A1 (0.37) ALDH1A1
SCHEMBL3492000 0.74 HPGD (0.50) KDM4EALDH1A1HPGDTSHRNAMPT
SCHEMBL15040912 0.73 ALDH1A1 (0.36) KDM4EALDH1A1HPGDTSHRGRM1
SCHEMBL14748304 0.72 ALDH1A1 (0.51) KDM4EALDH1A1HPGDTSHRGLA
SCHEMBL3496098 0.71 GAA (0.56) KDM4EALDH1A1HPGDGAANPSR1
SCHEMBL16087963 0.71 NAMPT (0.47) HTR2CNAMPTHTR7HDAC4

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
US-20100081652-A1 Cinnamoyl Compound and Use Thereof SHIRAKI HIROAKI 2010-04-01 US disclosed
US-20100081652-A1 Cinnamoyl Compound and Use Thereof SHIRAKI HIROAKI 2010-04-01 US disclosed
US-20100081652-A1 Cinnamoyl Compound and Use Thereof SHIRAKI HIROAKI 2010-04-01 US disclosed
EP-1857455-A1 CINNAMOYL COMPOUND AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2007-11-21 EP disclosed
EP-1857455-A1 CINNAMOYL COMPOUND AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2007-11-21 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-20100081652-A1 Cinnamoyl Compound and Use Thereof COL2A1, MMP7, COL14A1 HTR2C 4781/4885KDM4E 2703/4885ALDH1A1 474/4885

“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.