SCHEMBL12148673

SCHEMBL12148673

[C-]#[N+]/C(C#N)=C1/c2cc(-c3cc(F)cc(C(F)(F)F)c3)ccc2-c2nc3c(nc21)/C(=C(\C#N)[N+]#[C-])c1cc(-c2cc(C)cc(F)c2)ccc1-3

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.32
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
PTGS2 P35354 2/20 0.32
PTGS1 P23219 2/20 0.32

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
SCHEMBL2706344 0.94 RXRA (0.36) PGRRXRARXRBRXRGPTGS1
SCHEMBL12148669 0.92 RXRA (0.33) RXRARXRBRXRG
SCHEMBL12148645 0.90 RXRA (0.34) PGRRXRARXRBRXRG
SCHEMBL12114523 0.90 RXRA (0.34) PGRRXRARXRBRXRG
SCHEMBL2706779 0.88 CTSS (0.34) RXRARXRBRXRG
SCHEMBL12149290 0.87 RXRA (0.35) PGRRXRARXRBRXRGPTGS2
SCHEMBL2755915 0.87 RXRA (0.35) PGRRXRARXRBRXRGPTGS2
SCHEMBL12148667 0.85 RXRA (0.33) RXRARXRBRXRG
SCHEMBL13373616 0.84 RXRA (0.38) PGRRXRARXRBRXRG
SCHEMBL2705681 0.83 KIF11 (0.36)

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150303380-A1 ORGANIC ELECTROLUMINESCENT DEVICE MAGNOLIA BLUE CORPORATION (JP) 2015-10-22 US disclosed
US-20150069351-A1 ORGANIC ELECTROLUMINESCENCE DEVICE MAGNOLIA BLUE CORPORATION (JP) 2015-03-12 US disclosed
US-20140246663-A1 ORGANIC ELECTROLUMINESCENT ELEMENT JDI DESIGN AND DEVELOPMENT G.K. (JP) 2014-09-04 US disclosed
US-8748015-B2 Indenofluorenedione derivative, material for organic electroluminescent element, and organic electroluminescent element IDEMITSU KOSAN CO., LTD. (JP) 2014-06-10 US disclosed
US-20110284827-A1 INDENOFLUORENEDIONE DERIVATIVE, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, AND ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2011-11-24 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-20110284827-A1 INDENOFLUORENEDIONE DERIVATIVE, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, AND ORGANIC ELECTROLUMINESCENT ELEMENT HSD17B11, HSD17B2, HSD17B1 PGR 688/4885RXRA 3242/4885RXRB 3977/4885

“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.