SCHEMBL4263397

SCHEMBL4263397

CC(=O)Cc1ccc(C=Cc2ccc3c(c2)NC(=O)CO3)cc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.55
NR3C2 P08235 3/20 0.54
ALDH1A1 P00352 5/20 0.51
LMNA P02545 1/20 0.51
TRPV1 Q8NER1 1/20 0.49
MMP12 P39900 1/20 0.49
MAPT P10636 4/20 0.48
KDM4E B2RXH2 1/20 0.47
PKM P14618 1/20 0.46
TSHR P16473 1/20 0.45

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
SCHEMBL13932067 1.00 PARP1 (0.55) PARP1NR3C2ALDH1A1LMNATRPV1
SCHEMBL10923540 0.86 PARP1 (0.69) PARP1NR3C2ALDH1A1MMP12MAPT
SCHEMBL13932097 0.84 ALDH1A1 (0.60) PARP1NR3C2ALDH1A1LMNATRPV1
SCHEMBL4263597 0.84 ALDH1A1 (0.60) PARP1NR3C2ALDH1A1LMNATRPV1
SCHEMBL13932125 0.82 NR3C2 (0.55) PARP1NR3C2ALDH1A1LMNATRPV1
SCHEMBL4266687 0.82 NR3C2 (0.55) PARP1NR3C2ALDH1A1LMNATRPV1
SCHEMBL13932129 0.81 NR3C2 (0.62) PARP1NR3C2ALDH1A1LMNATRPV1
SCHEMBL4258190 0.81 NR3C2 (0.62) PARP1NR3C2ALDH1A1LMNATRPV1
SCHEMBL27751925 0.80 ALDH1A1 (0.65) PARP1NR3C2ALDH1A1LMNATRPV1
SCHEMBL13932098 0.80 NR3C2 (0.55) PARP1NR3C2ALDH1A1LMNATRPV1

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 4 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

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 PARP1 4095/4885NR3C2 7/4885ALDH1A1 3483/4885

“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.