SCHEMBL4258287

SCHEMBL4258287

COc1ccccc1C=Cc1ccc2c(c1)NC(=O)CO2

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 4/20 0.63
CYP1A1 P04798 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP19A1 P11511 1/20 0.52
CYP1B1 Q16678 1/20 0.52
ALDH1A1 P00352 5/20 0.50
PKM P14618 1/20 0.50
MAPT P10636 5/20 0.49
MMP12 P39900 1/20 0.49
HTR1A P08908 1/20 0.48
DRD2 P14416 1/20 0.48
HTR2A P28223 1/20 0.48
LMNA P02545 1/20 0.48
KDM4E B2RXH2 2/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NFE2L2 Q16236 2/20 0.47
TRPA1 O75762 1/20 0.47
POLB P06746 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
SCHEMBL13932132 1.00 NR3C2 (0.63) NR3C2CYP1A1CYP1A2CYP19A1CYP1B1
SCHEMBL13932042 0.84 NR3C2 (0.63) NR3C2ALDH1A1PKMMMP12LMNA
SCHEMBL4266691 0.84 NR3C2 (0.63) NR3C2ALDH1A1PKMMMP12LMNA
SCHEMBL4258343 0.84 NR3C2 (0.53) NR3C2ALDH1A1PKMMAPTMMP12
SCHEMBL13932051 0.84 NR3C2 (0.53) NR3C2ALDH1A1PKMMAPTMMP12
SCHEMBL27731422 0.83 NR3C2 (0.65) NR3C2ALDH1A1PKMMAPTMMP12
SCHEMBL4263446 0.83 MAPT (0.59) NR3C2ALDH1A1MAPTMMP12DRD2
SCHEMBL13932043 0.83 MAPT (0.59) NR3C2ALDH1A1MAPTMMP12DRD2
SCHEMBL4267374 0.82 ALDH1A1 (0.67) NR3C2ALDH1A1PKMMAPTMMP12
SCHEMBL13932080 0.82 ALDH1A1 (0.67) NR3C2ALDH1A1PKMMAPTMMP12

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 7/4885CYP1A1 600/4885CYP1A2 569/4885

“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.