SCHEMBL4264682

SCHEMBL4264682

O=C1COc2ccc(-c3ccc4c(c3)OCCO4)cc2N1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.58
NR3C2 P08235 9/20 0.54
ALDH1A1 P00352 4/20 0.54
MAPT P10636 3/20 0.54
HPGD P15428 1/20 0.54
PARP1 P09874 1/20 0.54
KMT2A Q03164 2/20 0.53
PDE3B Q13370 1/20 0.52
PDE3A Q14432 1/20 0.52
KDM4E B2RXH2 2/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
CYP11B1 P15538 1/20 0.50
CYP11B2 P19099 1/20 0.50
PGR P06401 5/20 0.49
NR3C1 P04150 3/20 0.49
PKM P14618 1/20 0.49

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
SCHEMBL4267784 0.91 PKM (0.59) MMP12NR3C2ALDH1A1MAPTHPGD
SCHEMBL304764 0.83 MAPT (0.62) MMP12NR3C2ALDH1A1MAPTHPGD
SCHEMBL4257227 0.82 POLB (0.70) ALDH1A1MAPTHPGDKMT2AKDM4E
SCHEMBL19188055 0.81 MMP12 (0.77) MMP12NR3C2ALDH1A1MAPTHPGD
SCHEMBL13932113 0.81 NR3C2 (0.62) MMP12NR3C2ALDH1A1MAPTPARP1
SCHEMBL4263120 0.81 NR3C2 (0.62) MMP12NR3C2ALDH1A1MAPTPARP1
SCHEMBL5214057 0.80 ALDH1A1 (0.60) MMP12NR3C2ALDH1A1MAPTHPGD
SCHEMBL4267366 0.78 MMP12 (0.70) MMP12NR3C2ALDH1A1MAPTHPGD
SCHEMBL12405086 0.78 ALDH1A1 (0.57) MMP12NR3C2ALDH1A1MAPTHPGD
SCHEMBL25358350 0.77 NR3C2 (0.60) MMP12NR3C2ALDH1A1MAPTHPGD

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 6 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

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 MMP12 2999/4885NR3C2 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.