SCHEMBL4258356

SCHEMBL4258356

Cc1ccccc1CCc1ccc2c(c1)NC(=O)CO2

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 3/20 0.62
PARP1 P09874 5/20 0.61
MMP12 P39900 1/20 0.55
DRD2 P14416 5/20 0.51
DRD4 P21917 5/20 0.51
DRD3 P35462 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
PKM P14618 1/20 0.51
HTR1A P08908 1/20 0.48
HTR1D P28221 1/20 0.48
HTR1B P28222 1/20 0.48
SLC6A4 P31645 1/20 0.48
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47

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
SCHEMBL4256970 0.90 NR3C2 (0.60) NR3C2PARP1MMP12DRD2DRD4
SCHEMBL4264546 0.89 PARP1 (0.71) NR3C2PARP1MMP12DRD2DRD4
SCHEMBL4261980 0.86 MMP12 (0.64) NR3C2PARP1MMP12DRD2DRD4
SCHEMBL11002313 0.85 PARP1 (0.77) NR3C2PARP1MMP12DRD2DRD4
SCHEMBL4263499 0.84 NR3C2 (0.61) NR3C2PARP1MMP12DRD2DRD4
SCHEMBL4261965 0.84 NR3C2 (0.61) NR3C2PARP1MMP12DRD2DRD4
SCHEMBL4264604 0.84 PARP1 (0.68) NR3C2PARP1MMP12DRD2DRD4
SCHEMBL4272979 0.84 PARP1 (0.73) NR3C2PARP1MMP12DRD2DRD4
SCHEMBL4271023 0.83 MMP12 (0.70) NR3C2PARP1MMP12DRD2DRD4
SCHEMBL4267990 0.82 NR3C2 (0.66) NR3C2PARP1MMP12LMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054417-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS IRM LLC (BM) 2009-02-26 US claimed
JP-2008508314-A 2008-03-21 JP claimed
EP-1778242-A2 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS IRM LLC (BM) 2007-05-02 EP claimed
WO-2006015259-A2 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS IRM LLC (BM) 2006-02-09 WO claimed
US-20090054417-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS IRM LLC (BM) 2009-02-26 US disclosed
US-20090054417-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS IRM LLC (BM) 2009-02-26 US disclosed
US-20090054417-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS IRM LLC (BM) 2009-02-26 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 (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-20090054417-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS NR5A1, ESRRA, NR3C1 NR3C2 7/4885PARP1 4095/4885MMP12 2999/4885

“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.