SCHEMBL13587773

SCHEMBL13587773

CCCOC(=O)C1=C(CCC)NC(C)=C(C#N)C1c1ccc(F)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 2/20 0.51
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 2/20 0.45
GAA P10253 2/20 0.44
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL8257709 0.93 NR3C2 (0.49) NR3C2KDM4EALDH1A1GAA
SCHEMBL8258511 0.92 KDM4E (0.49) NR3C2KDM4EALDH1A1GAAMAPT
SCHEMBL13587796 0.91 NR3C2 (0.47) NR3C2KDM4EALDH1A1GAA
SCHEMBL8256669 0.90 NR3C2 (0.49) NR3C2KDM4EALDH1A1GAAMAPT
SCHEMBL8258921 0.88 NR3C2 (0.52) NR3C2GAAMAPTNPSR1
SCHEMBL13587772 0.88 NR3C2 (0.59) NR3C2GAA
SCHEMBL8260421 0.87 NR3C2 (0.51) NR3C2
SCHEMBL8255014 0.87 KDM4E (0.49) NR3C2KDM4EALDH1A1GAA
SCHEMBL8260701 0.85 KDM4E (0.51) NR3C2KDM4EALDH1A1GAAMAPT
SCHEMBL8260526 0.82 NR3C2 (0.49) NR3C2GAA

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 3960/4885ALDH1A1 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.