SCHEMBL13587787

SCHEMBL13587787

COC(=O)C1=C(CCc2ccccc2)NC(C)=C(C#N)C1c1ccc(F)cc1CF

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 3/20 0.44
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TSHR P16473 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
SCHEMBL13587734 0.90 NR3C2 (0.46) NR3C2TSHR
SCHEMBL8260834 0.89 NR3C2 (0.58) NR3C2
SCHEMBL8258517 0.88
SCHEMBL13587785 0.86 NR3C2 (0.46) NR3C2KDM4E
SCHEMBL8261064 0.81 NR3C2 (0.58) NR3C2KDM4EALDH1A1MAPTTSHR
SCHEMBL8257066 0.81 NR3C2 (0.46) NR3C2
SCHEMBL13587784 0.80 NR3C2 (0.46) NR3C2KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL13587793 0.77 NR3C2 (0.44) NR3C2
SCHEMBL13587790 0.77 NR3C2 (0.50) NR3C2KDM4EALDH1A1MAPTTSHR
SCHEMBL8259322 0.76 NR3C2 (0.48) NR3C2KDM4ETSHR

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.