SCHEMBL13041390

SCHEMBL13041390

CCC(=O)CC(=O)N1CCCCC1C

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
GAA P10253 2/20 0.47
KMT2A Q03164 4/20 0.46
ALDH1A1 P00352 4/20 0.44
MEN1 O00255 3/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 2/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
RAB9A P51151 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL13041417 0.95 HPGD (0.43) HPGDSMN1; SMN2GAAKMT2AALDH1A1
SCHEMBL13674774 0.85 HPGD (0.54) HPGDSMN1; SMN2GAAKMT2AALDH1A1
SCHEMBL12224346 0.85 HPGD (0.54) HPGDSMN1; SMN2GAAKMT2AALDH1A1
SCHEMBL4256387 0.85 HPGD (0.54) HPGDSMN1; SMN2GAAKMT2AALDH1A1
SCHEMBL11214579 0.82 HPGD (0.51) HPGDSMN1; SMN2GAAKMT2AALDH1A1
SCHEMBL3744818 0.82 L3MBTL1 (0.45) HPGDSMN1; SMN2KMT2AMEN1CYP1A2
SCHEMBL3741638 0.81 HPGD (0.45) HPGDSMN1; SMN2GAAKMT2AALDH1A1
SCHEMBL13041395 0.80 ACE (0.50) CYP2C19RAB9AHSD17B10
SCHEMBL13041394 0.80 L3MBTL1 (0.51) HPGDKMT2AALDH1A1MEN1CHRM2
SCHEMBL14301360 0.80 HPGD (0.47) HPGDSMN1; SMN2GAAKMT2AALDH1A1

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 HPGD 2311/4885SMN1; SMN2 4710/4885GAA 1257/4885
US-20070203128-A1 Modulation of Pathogenicity ANTXR2, Q6ZSR9, PGLS HPGD 2311/4885SMN1; SMN2 4710/4885GAA 1257/4885
US-20070093534-A1 Modulation of Pathogenicity NR1H4, NR1I3, NR1H2 HPGD 3338/4885SMN1; SMN2 1924/4885GAA 4098/4885
US-20070208012-A1 Modulation of Pathogenicity ANTXR2, Q6ZSR9, PGLS HPGD 2311/4885SMN1; SMN2 4710/4885GAA 1257/4885
US-20100280034-A1 Modulation of pathogenicity NR1H4, NR1I3, NR1H2 HPGD 3338/4885SMN1; SMN2 1924/4885GAA 4098/4885
US-20070184014-A1 Modulation of Pathogenicity ANTXR2, Q6ZSR9, PGLS HPGD 2311/4885SMN1; SMN2 4710/4885GAA 1257/4885
US-20070196340-A1 Modulation of Pathogenicity NR1H4, NR1I3, NR1H2 HPGD 3338/4885SMN1; SMN2 1924/4885GAA 4098/4885

“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.