SCHEMBL2706779

SCHEMBL2706779

[C-]#[N+]/C(C#N)=C1/c2cc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc2-c2nc3c(nc21)-c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1/C3=C(/C#N)[N+]#[C-]

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
RXRA P19793 5/20 0.33
RXRB P28702 4/20 0.33
RXRG P48443 4/20 0.33
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 1/20 0.30

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
SCHEMBL12148669 0.94 RXRA (0.33) CTSSCTSKRXRARXRBRXRG
SCHEMBL2706344 0.93 RXRA (0.36) RXRARXRBRXRGCYP11B1CYP11B2
SCHEMBL2705681 0.92 KIF11 (0.36) CTSSCTSK
SCHEMBL2706870 0.91 CTSS (0.40) CTSSCTSK
SCHEMBL10050388 0.90 RXRA (0.37) CTSSCTSKRXRARXRBRXRG
SCHEMBL2706881 0.90 KIF11 (0.35) CTSSCTSK
SCHEMBL2705380 0.88 CTSS (0.38) CTSSCTSK
SCHEMBL12148673 0.88 PGR (0.32) RXRARXRBRXRG
SCHEMBL13373370 0.88 RXRA (0.35) RXRARXRBRXRGCYP11B1CYP11B2
SCHEMBL2706790 0.87 KIF11 (0.36) CTSSCTSK

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-8088901-B2 Azaindenofluorenedione derivative, material for organic electroluminescence device and organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2012-01-03 US disclosed
US-20090315022-A1 AZAINDENOFLUORENEDIONE DERIVATIVE, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2009-12-24 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-20090315022-A1 AZAINDENOFLUORENEDIONE DERIVATIVE, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE CYP19A1, HSD17B2, AZI2 CTSS 3559/4885CTSK 2346/4885RXRA 1835/4885

“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.