SCHEMBL8258773

SCHEMBL8258773

CCCC1=C(C(=O)OC(C)C)C(c2ccnc3ccccc23)C(C#N)=C(C)N1

nearest known ligand 0.82

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 4/20 0.82
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
CASP1 P29466 1/20 0.41
BRCA1 P38398 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CACNA1C Q13936 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
SCHEMBL13587780 0.84 NR3C2 (0.57) NR3C2KDM4E
SCHEMBL11376558 0.75 NR3C2 (0.52) NR3C2KDM4EMEN1MAPTALOX15
SCHEMBL8260688 0.74 KDM4E (0.49) NR3C2KDM4E
SCHEMBL9765807 0.74 CYP1A2 (0.60) NR3C2KDM4EALDH1A1MEN1TP53
SCHEMBL13587764 0.73 NR3C2 (0.70) NR3C2CACNA1C
SCHEMBL13587768 0.72 NR3C2 (0.56) NR3C2KDM4E
SCHEMBL9644465 0.72 NR3C2 (0.77) NR3C2KDM4EMEN1MAPTALOX15
SCHEMBL13587741 0.72 NR3C2 (0.58) NR3C2KDM4E
SCHEMBL8867292 0.72 NR3C2 (0.84) NR3C2KDM4EMEN1MAPTALOX15
SCHEMBL8257346 0.72 NR3C2 (0.58) NR3C2CACNA1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090298872-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROIDAL RECEPTORS AND CALCIUM CHANNEL ACTIVITIES IRM LLC (BM) 2009-12-03 US disclosed
WO-2006066011-A2 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROIDAL RECEPTORS AND CALCIUM CHANNEL ACTIVITIES IRM LLC (BM) 2006-06-22 WO 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-20090298872-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROIDAL RECEPTORS AND CALCIUM CHANNEL ACTIVITIES TRPV1, TRPV2, TRPV6 NR3C2 12/4885KDM4E 3960/4885ALDH1A1 3716/4885

“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.