SCHEMBL13041449

SCHEMBL13041449

CCC(=O)CC(=O)n1ccc2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.57
TSHR P16473 2/20 0.50
RAB9A P51151 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MAPK1 P28482 2/20 0.43
KMT2A Q03164 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
GAA P10253 1/20 0.42
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
TP53 P04637 1/20 0.40
LMNA P02545 1/20 0.40
TFPI2 P48307 1/20 0.39
NPY4R P50391 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL2997057 0.86 NOTUM (0.65) NOTUMTSHRRAB9AL3MBTL1MAPK1
SCHEMBL30452280 0.86 NOTUM (0.65) NOTUMTSHRRAB9AL3MBTL1MAPK1
SCHEMBL6665481 0.83 NOTUM (0.66) NOTUMTSHRRAB9AL3MBTL1MAPK1
SCHEMBL31470926 0.83 NOTUM (0.66) NOTUMTSHRRAB9AL3MBTL1MAPK1
SCHEMBL3745401 0.83 NOTUM (0.49) NOTUMTSHRRAB9AL3MBTL1LMNA
SCHEMBL30452423 0.80 NOTUM (0.61) NOTUMTSHRRAB9AL3MBTL1MAPK1
SCHEMBL3004386 0.80 NOTUM (0.61) NOTUMTSHRRAB9AL3MBTL1MAPK1
SCHEMBL25937249 0.78 NOTUM (0.61) NOTUMTSHRRAB9AL3MBTL1MAPK1
SCHEMBL28244322 0.77 NOTUM (0.57) NOTUMTSHRRAB9AL3MBTL1LMNA
SCHEMBL1563100 0.76 NOTUM (0.56) NOTUMTSHRRAB9AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100280034-A1 Modulation of pathogenicity QUONOVA, LLC 2010-11-04 US disclosed
US-7338969-B2 Modulation of pathogenicity QUONOVA, LLC (US) 2008-03-04 US disclosed
US-20070208012-A1 Modulation of Pathogenicity QUONOVA, LLC 2007-09-06 US disclosed
US-20070203128-A1 Modulation of Pathogenicity QUONOVA, LLC 2007-08-30 US disclosed
US-20070196340-A1 Modulation of Pathogenicity QUONOVA, LLC 2007-08-23 US disclosed
US-20070197492-A1 Modulation of Pathogenicity QUONOVA, LLC 2007-08-23 US disclosed
US-20070184014-A1 Modulation of Pathogenicity QUONOVA, LLC 2007-08-09 US disclosed
US-20070093534-A1 Modulation of Pathogenicity QUONOVA, LLC 2007-04-26 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 (7 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-20070197492-A1 Modulation of Pathogenicity ANTXR2, Q6ZSR9, PGLS NOTUM 3514/4885TSHR 2025/4885RAB9A 1224/4885
US-20070203128-A1 Modulation of Pathogenicity ANTXR2, Q6ZSR9, PGLS NOTUM 3514/4885TSHR 2025/4885RAB9A 1224/4885
US-20070093534-A1 Modulation of Pathogenicity NR1H4, NR1I3, NR1H2 NOTUM 3850/4885TSHR 803/4885RAB9A 1938/4885
US-20070208012-A1 Modulation of Pathogenicity ANTXR2, Q6ZSR9, PGLS NOTUM 3514/4885TSHR 2025/4885RAB9A 1224/4885
US-20100280034-A1 Modulation of pathogenicity NR1H4, NR1I3, NR1H2 NOTUM 3850/4885TSHR 803/4885RAB9A 1938/4885
US-20070184014-A1 Modulation of Pathogenicity ANTXR2, Q6ZSR9, PGLS NOTUM 3514/4885TSHR 2025/4885RAB9A 1224/4885
US-20070196340-A1 Modulation of Pathogenicity NR1H4, NR1I3, NR1H2 NOTUM 3850/4885TSHR 803/4885RAB9A 1938/4885

“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.