SCHEMBL10075009

SCHEMBL10075009

N#CN=C1c2cc(-c3ccc(C#N)c(C(F)(F)F)c3)ccc2-c2ccc(-c3ccc(C#N)c(C(F)(F)F)c3)cc21

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AR P10275 19/20 0.56
PGR P06401 4/20 0.52
RXRA P19793 1/20 0.48
RXRB P28702 1/20 0.48
RXRG P48443 1/20 0.48

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
SCHEMBL10050373 0.89 AR (0.46) ARPGRRXRARXRBRXRG
SCHEMBL10050370 0.84 CTSS (0.41) ARPGR
SCHEMBL10075008 0.81 KIF11 (0.55)
SCHEMBL10050369 0.79 KIF11 (0.47)
SCHEMBL23968953 0.79 AR (0.41) ARPGR
SCHEMBL10050372 0.78 AR (0.56) ARPGR
SCHEMBL10050376 0.78 RXRA (0.38) ARRXRARXRBRXRG
SCHEMBL21917123 0.77 AR (0.60) ARPGRRXRARXRBRXRG
SCHEMBL20930507 0.77 AR (0.56) ARPGRRXRARXRBRXRG
SCHEMBL10050371 0.77 EDNRB (0.42) ARPGR

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-8119828-B2 Material for an organic electroluminescence device and an organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2012-02-21 US disclosed
US-20100044686-A1 MATERIAL FOR AN ORGANIC ELECTROLUMINESCENCE DEVICE AND AN ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2010-02-25 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-20100044686-A1 MATERIAL FOR AN ORGANIC ELECTROLUMINESCENCE DEVICE AND AN ORGANIC ELECTROLUMINESCENCE DEVICE AFF4, KCNH3, HCN4 AR 4115/4885PGR 1938/4885RXRA 3385/4885

“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.