SCHEMBL13587741

SCHEMBL13587741

COCC1=C(C(=O)OC(C)C)C(c2ccccc2C)C(C#N)=C(C)N1

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 3/20 0.58
KDM4E B2RXH2 1/20 0.54

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
SCHEMBL13587768 0.90 NR3C2 (0.56) NR3C2KDM4E
SCHEMBL13587767 0.90 NR3C2 (0.56) NR3C2KDM4E
SCHEMBL13587771 0.90 NR3C2 (0.56) NR3C2KDM4E
SCHEMBL8252677 0.89
SCHEMBL8260790 0.86 NR3C2 (0.43) NR3C2KDM4E
SCHEMBL13587756 0.83 KDM4E (0.51) NR3C2KDM4E
SCHEMBL8261043 0.82 KDM4E (0.55) NR3C2KDM4E
SCHEMBL8261073 0.82 KDM4E (0.49) NR3C2KDM4E
SCHEMBL8259167 0.81 KDM4E (0.54) NR3C2KDM4E
SCHEMBL8261054 0.81 KDM4E (0.54) NR3C2KDM4E

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 1 patent. 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

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 3960/4885

“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.