SCHEMBL13373370

SCHEMBL13373370

[C-]#[N+]/C(C#N)=C1/c2cc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc2-c2cc3c(cc21)-c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1/C3=C(/C#N)[N+]#[C-]

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RXRA P19793 5/20 0.35
RXRB P28702 4/20 0.35
RXRG P48443 4/20 0.35
NAAA Q02083 1/20 0.32
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 1/20 0.30
AKR1C3 P42330 1/20 0.30
AKR1C2 P52895 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
SCHEMBL10050388 0.97 RXRA (0.37) RXRARXRBRXRGNAAACYP11B1
SCHEMBL13373403 0.95 RXRA (0.33) RXRARXRBRXRG
SCHEMBL12148634 0.93 RXRA (0.36) RXRARXRBRXRG
SCHEMBL12114365 0.93 RXRA (0.36) RXRARXRBRXRG
SCHEMBL13373616 0.93 RXRA (0.38) RXRARXRBRXRGCYP11B1CYP11B2
SCHEMBL13373483 0.91 KIF11 (0.40)
SCHEMBL13373510 0.90 CTSS (0.38) NAAAAKR1C3AKR1C2
SCHEMBL10050390 0.88 KIF11 (0.41)
SCHEMBL2706779 0.88 CTSS (0.34) RXRARXRBRXRGCYP11B1CYP11B2
SCHEMBL10050385 0.87 CTSS (0.39) NAAAAKR1C3AKR1C2

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-8288013-B2 Material for organic electroluminescence device and organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2012-10-16 US disclosed
US-20100019659-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD (JP) 2010-01-28 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-20100019659-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE CYP19A1, ESR1, KCNH3 RXRA 1884/4885RXRB 2086/4885RXRG 1825/4885

“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.