SCHEMBL13041395

SCHEMBL13041395

CCC(=O)CC(=O)N1CCCCC1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 8/20 0.50
REN P00797 4/20 0.44
LMNA P02545 2/20 0.44
HSD17B10 Q99714 2/20 0.44
CYP2C19 P33261 1/20 0.44
KDM4E B2RXH2 1/20 0.44
F2 P00734 1/20 0.44
LTA4H P09960 1/20 0.44
MAPT P10636 1/20 0.44
PEPD P12955 1/20 0.44
ALOX15 P16050 1/20 0.44
PTGS1 P23219 1/20 0.44
HTR2A P28223 1/20 0.44
PTGS2 P35354 1/20 0.44
HRH1 P35367 1/20 0.44
THPO P40225 1/20 0.44
PMP22 Q01453 1/20 0.44
ACE2 Q9BYF1 1/20 0.44
RAB9A P51151 1/20 0.43
MVD P53602 1/20 0.43

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
SCHEMBL13041423 0.95 ACE (0.55) ACERENLMNAHSD17B10CYP2C19
SCHEMBL18897070 0.86 ACE (0.56) ACERENLMNAHSD17B10CYP2C19
SCHEMBL9171568 0.86 ACE (0.56) ACERENLMNAHSD17B10CYP2C19
SCHEMBL3736446 0.83 ACE (0.49) ACEACE2
SCHEMBL13041397 0.82 FKBP1A (0.56) HSD17B10KDM4E
SCHEMBL4177769 0.81 ACE (0.62) ACERENLMNAHSD17B10CYP2C19
SCHEMBL4189532 0.81 ACE (0.62) ACERENLMNAHSD17B10CYP2C19
SCHEMBL11995957 0.81 ACE (0.62) ACERENLMNAHSD17B10CYP2C19
SCHEMBL13041430 0.81 DPP4 (0.46) ACE
SCHEMBL13041390 0.80 HPGD (0.49) HSD17B10CYP2C19RAB9A

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 ACE 2788/4885REN 2213/4885LMNA 2846/4885
US-20070203128-A1 Modulation of Pathogenicity ANTXR2, Q6ZSR9, PGLS ACE 2788/4885REN 2213/4885LMNA 2846/4885
US-20070093534-A1 Modulation of Pathogenicity NR1H4, NR1I3, NR1H2 ACE 4710/4885REN 2359/4885LMNA 3949/4885
US-20070208012-A1 Modulation of Pathogenicity ANTXR2, Q6ZSR9, PGLS ACE 2788/4885REN 2213/4885LMNA 2846/4885
US-20100280034-A1 Modulation of pathogenicity NR1H4, NR1I3, NR1H2 ACE 4710/4885REN 2359/4885LMNA 3949/4885
US-20070184014-A1 Modulation of Pathogenicity ANTXR2, Q6ZSR9, PGLS ACE 2788/4885REN 2213/4885LMNA 2846/4885
US-20070196340-A1 Modulation of Pathogenicity NR1H4, NR1I3, NR1H2 ACE 4710/4885REN 2359/4885LMNA 3949/4885

“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.