SCHEMBL4259476

SCHEMBL4259476

O=C1COc2ccc(C=Cc3ccc(OC(F)(F)F)cc3)cc2N1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 5/20 0.58
PARP1 P09874 1/20 0.47
MMP12 P39900 1/20 0.47
ALDH1A1 P00352 4/20 0.46
LMNA P02545 2/20 0.46
TRPV1 Q8NER1 2/20 0.45
PIM1 P11309 1/20 0.43
PIM2 Q9P1W9 1/20 0.43
MAPT P10636 4/20 0.42
KDM4E B2RXH2 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PKM P14618 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41

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
SCHEMBL13932091 1.00 NR3C2 (0.58) NR3C2PARP1MMP12ALDH1A1LMNA
SCHEMBL704966 0.86 MMP12 (0.55) NR3C2PARP1MMP12ALDH1A1LMNA
SCHEMBL4263446 0.84 MAPT (0.59) NR3C2PARP1MMP12ALDH1A1LMNA
SCHEMBL4259495 0.84 NR3C2 (0.61) NR3C2PARP1MMP12ALDH1A1LMNA
SCHEMBL13932043 0.84 MAPT (0.59) NR3C2PARP1MMP12ALDH1A1LMNA
SCHEMBL13932136 0.84 NR3C2 (0.61) NR3C2PARP1MMP12ALDH1A1LMNA
SCHEMBL13932082 0.81 NR3C2 (0.58) NR3C2PARP1MMP12ALDH1A1LMNA
SCHEMBL4261472 0.81 NR3C2 (0.58) NR3C2PARP1MMP12ALDH1A1LMNA
SCHEMBL4266687 0.81 NR3C2 (0.55) NR3C2PARP1MMP12ALDH1A1LMNA
SCHEMBL13932125 0.81 NR3C2 (0.55) NR3C2PARP1MMP12ALDH1A1LMNA

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 5 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

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.