SCHEMBL5282142

SCHEMBL5282142

C#CCNC(=O)CSCCC(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.46
TSHR P16473 4/20 0.39
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
RECQL P46063 1/20 0.34
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
POLB P06746 1/20 0.33
MTNR1A P48039 2/20 0.32
MTNR1B P49286 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ABL1 P00519 1/20 0.31
RIN1 Q13671 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HPGD P15428 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
SCHEMBL23987762 0.78 TSHR (0.54) HSD17B10TSHRALDH1A1LMNAHTT
SCHEMBL1845437 0.76 TSHR (0.55) HSD17B10TSHRALDH1A1LMNAHTT
SCHEMBL22508683 0.74 MEN1 (0.38) HSD17B10TSHRMEN1KMT2A
SCHEMBL22286704 0.74 MGAM (0.42) HSD17B10TSHRRECQLSMN1; SMN2POLB
SCHEMBL112204 0.73 TSHR (0.63) HSD17B10TSHRALDH1A1LMNAHTT
SCHEMBL9589394 0.72 TSHR (0.50) HSD17B10TSHRALDH1A1LMNAHTT
SCHEMBL4200738 0.72 TSHR (0.50) HSD17B10TSHRLMNAMAPTPOLB
SCHEMBL5277267 0.72 ADRA1A (0.47) HSD17B10TSHRALDH1A1LMNASMN1; SMN2
SCHEMBL15282755 0.71 TSHR (0.60) HSD17B10TSHRALDH1A1LMNAHTT
SCHEMBL5839442 0.71 TSHR (0.48) HSD17B10TSHRALDH1A1LMNAHTT

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
EP-1863804-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2007-12-12 EP disclosed
US-20060264415-A1 Inhibitors of histone deacetylase METHYLGENE INC. 2006-11-23 US disclosed
WO-2006102760-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2006-10-05 WO 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-20060264415-A1 Inhibitors of histone deacetylase HDAC1, HDAC3, HDAC11 HSD17B10 684/4885TSHR 2191/4885ALDH1A1 781/4885

“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.