SCHEMBL16217099

SCHEMBL16217099

CC(=O)c1[nH]c2c(c1C)C(=O)CC(c1ccccc1)C2

nearest known ligand 0.83

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.83
TSHR P16473 1/20 0.83
HSD17B10 Q99714 1/20 0.83
LMNA P02545 4/20 0.76
RAB9A P51151 2/20 0.76
KMT2A Q03164 2/20 0.76
TP53 P04637 8/20 0.67
HTT P42858 1/20 0.67
NPSR1 Q6W5P4 1/20 0.67
ALDH1A1 P00352 2/20 0.66
MAPK1 P28482 2/20 0.66
SMN1; SMN2 Q16637 1/20 0.65
NPC1 O15118 2/20 0.63
MEN1 O00255 1/20 0.63
POLB P06746 6/20 0.58
MAPT P10636 2/20 0.55
TDP1 Q9NUW8 1/20 0.55
THRB P10828 1/20 0.54

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
SCHEMBL2016019 0.84 LMNA (0.80) ALOX15TSHRHSD17B10LMNARAB9A
SCHEMBL16217087 0.83 LMNA (0.69) ALOX15TSHRHSD17B10LMNARAB9A
SCHEMBL16217081 0.80 TSHR (0.78) ALOX15TSHRHSD17B10LMNARAB9A
SCHEMBL7681133 0.73 BUB1 (0.69) ALOX15TSHRHSD17B10LMNARAB9A
SCHEMBL2014406 0.73 ALDH1A1 (0.74) ALOX15TSHRHSD17B10LMNARAB9A
SCHEMBL10090689 0.71 POLB (0.83) ALOX15TSHRHSD17B10LMNARAB9A
SCHEMBL7685234 0.71 ALOX15 (0.56) ALOX15TSHRHSD17B10LMNARAB9A
SCHEMBL7683273 0.69 ADORA2A (0.59) ALOX15TSHRHSD17B10LMNARAB9A
SCHEMBL14758473 0.69 SMN1; SMN2 (0.79) ALOX15TSHRHSD17B10LMNARAB9A
SCHEMBL7681249 0.69 ALOX15 (0.53) ALOX15TSHRHSD17B10LMNARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140329863-A1 NOVEL ANTIPRION COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-11-06 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-20140329863-A1 NOVEL ANTIPRION COMPOUNDS PRNP, PSEN1, PSEN2 ALOX15 1534/4885TSHR 4745/4885HSD17B10 2270/4885

“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.