SCHEMBL8259779

SCHEMBL8259779

COCC1=C(C(=O)OC(C)C)C(c2ccc(Br)cc2F)C(C#N)=C(C)N1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.54
NR3C2 P08235 5/20 0.49
GAA P10253 1/20 0.41
NR1I2 O75469 1/20 0.39
NR3C1 P04150 1/20 0.39
ABCB1 P08183 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
TBXA2R P21731 1/20 0.39
AGTR1 P30556 1/20 0.39
CCKBR P32239 1/20 0.39
PTGS2 P35354 1/20 0.39
PDE4D Q08499 1/20 0.39
SCN5A Q14524 1/20 0.39
SLC29A1 Q99808 1/20 0.39

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
SCHEMBL8261043 0.91 KDM4E (0.55) KDM4ENR3C2GAANR1I2NR3C1
SCHEMBL8256663 0.91 NR3C2 (0.43) KDM4ENR3C2GAA
SCHEMBL8261054 0.89 KDM4E (0.54) KDM4ENR3C2GAA
SCHEMBL8261047 0.88 KDM4E (0.52) KDM4ENR3C2
SCHEMBL4379641 0.87 KDM4E (0.54) KDM4ENR3C2GAANR1I2NR3C1
SCHEMBL8261045 0.84 KDM4E (0.54) KDM4ENR3C2
SCHEMBL8261057 0.84 NR3C2 (0.61) KDM4ENR3C2
SCHEMBL13587771 0.83 NR3C2 (0.56) KDM4ENR3C2
SCHEMBL8259167 0.82 KDM4E (0.54) KDM4ENR3C2
SCHEMBL13587732 0.81 KDM4E (0.53) KDM4ENR3C2

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 KDM4E 3960/4885NR3C2 12/4885GAA 3395/4885

“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.