SCHEMBL82065

SCHEMBL82065

CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)-c3ncc(-c5cnc6c(c5)C(C)(C)c5cccnc5-6)cc3C4(C)C)cc21

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 7/20 0.40
GABRB3 P28472 7/20 0.40
GABRA5 P31644 7/20 0.40
GABRA3 P34903 7/20 0.40
PDK2 Q15119 10/20 0.37
GABRA1 P14867 6/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
FEN1 P39748 1/20 0.34
CTSD P07339 1/20 0.33
BACE1 P56817 1/20 0.33

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
SCHEMBL81616 1.00 GABRG2 (0.40) GABRG2GABRB3GABRA5GABRA3PDK2
SCHEMBL80873 0.94 GABRG2 (0.40) GABRG2GABRB3GABRA5GABRA3PDK2
SCHEMBL81604 0.92 PDK2 (0.41) GABRG2GABRB3GABRA5GABRA3PDK2
SCHEMBL81614 0.92 PDK2 (0.41) GABRG2GABRB3GABRA5GABRA3PDK2
SCHEMBL82048 0.92 PDK2 (0.41) GABRG2GABRB3GABRA5GABRA3PDK2
SCHEMBL12617737 0.91 GABRG2 (0.39) GABRG2GABRB3GABRA5GABRA3PDK2
SCHEMBL81615 0.90 PDK2 (0.39) GABRG2GABRB3GABRA5GABRA3PDK2
SCHEMBL80919 0.89 PDK2 (0.42) PDK2KMT2A
SCHEMBL17324136 0.88 PDK2 (0.40) GABRG2GABRB3GABRA5GABRA3PDK2
SCHEMBL80361 0.88 GABRG2 (0.39) GABRG2GABRB3GABRA5GABRA3PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129899-B1 Azafluorene derivative and organic light-emitting device using the derivative CANON KABUSHIKI KAISHA (JP) 2012-03-06 US disclosed
US-8129899-B1 Azafluorene derivative and organic light-emitting device using the derivative CANON KABUSHIKI KAISHA (JP) 2012-03-06 US disclosed
US-20120049176-A1 AZAFLUORENE DERIVATIVE AND ORGANIC LIGHT-EMITTING DEVICE USING THE DERIVATIVE CANON KABUSHIKI KAISHA (JP) 2012-03-01 US disclosed
US-20120049176-A1 AZAFLUORENE DERIVATIVE AND ORGANIC LIGHT-EMITTING DEVICE USING THE DERIVATIVE CANON KABUSHIKI KAISHA (JP) 2012-03-01 US disclosed
US-8110685-B2 Efficient, durable electron transport layers; low driving voltage; simple, low cost production CANON KABUSHIKI KAISHA (JP) 2012-02-07 US disclosed
US-8110685-B2 Efficient, durable electron transport layers; low driving voltage; simple, low cost production CANON KABUSHIKI KAISHA (JP) 2012-02-07 US disclosed
US-20080154040-A1 AZAFLUORENE DERIVATIVE AND ORGANIC LIGHT-EMITTING DEVICE USING THE DERIVATIVE CANON KABUSHIKI KAISHA (JP) 2008-06-26 US disclosed
US-20080154040-A1 AZAFLUORENE DERIVATIVE AND ORGANIC LIGHT-EMITTING DEVICE USING THE DERIVATIVE CANON KABUSHIKI KAISHA (JP) 2008-06-26 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-20080154040-A1 AZAFLUORENE DERIVATIVE AND ORGANIC LIGHT-EMITTING DEVICE USING THE DERIVATIVE AZI2, CYP1A2, CYP2C19 GABRG2 1582/4885GABRB3 1208/4885GABRA5 1113/4885

“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.