SCHEMBL80841

SCHEMBL80841

CC1(C)c2cc(-c3cccc(-c4ccc5c(c4)C(C)(C)c4cccnc4-5)c3)ccc2-c2ncccc21

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 7/20 0.43
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
PGR P06401 3/20 0.38
TGFBR1 P36897 1/20 0.35
RARA P10276 1/20 0.35
RARB P10826 1/20 0.35
RARG P13631 1/20 0.35
BACE1 P56817 3/20 0.34
CTSD P07339 2/20 0.34
TDP2 O95551 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 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
SCHEMBL17701460 0.88 CYP1A2 (0.39) PDK2CYP1A2CYP2C19KMT2APGR
SCHEMBL17867639 0.87 PDK2 (0.44) PDK2CYP1A2CYP2C19KMT2ATGFBR1
SCHEMBL81615 0.86 PDK2 (0.39) PDK2CYP1A2CYP2C19KMT2APGR
SCHEMBL17324134 0.84 CYP17A1 (0.41) PDK2CYP1A2CYP2C19KMT2A
SCHEMBL81604 0.84 PDK2 (0.41) PDK2CYP1A2CYP2C19KMT2APTGS1
SCHEMBL81614 0.84 PDK2 (0.41) PDK2CYP1A2CYP2C19KMT2APTGS1
SCHEMBL16547401 0.83 PDK2 (0.39) PDK2CYP1A2CYP2C19KMT2ABACE1
SCHEMBL80935 0.83 PDK2 (0.39) PDK2CYP1A2CYP2C19KMT2ATGFBR1
SCHEMBL16547410 0.82 PDK2 (0.38) PDK2CYP1A2CYP2C19KMT2APGR
SCHEMBL80915 0.82 PDK2 (0.41) PDK2CYP1A2CYP2C19KMT2ATGFBR1

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 PDK2 663/4885CYP1A2 2/4885CYP2C19 3/4885

“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.