SCHEMBL80224

SCHEMBL80224

CC1(C)c2ccccc2-c2nc(-c3cc4ccccc4c4ccccc34)ccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
HPGD P15428 2/20 0.36
HIF1A Q16665 2/20 0.36
HSD17B10 Q99714 2/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
CASP1 P29466 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP11B1 P15538 1/20 0.35
KMT2A Q03164 1/20 0.35
NISCH Q9Y2I1 1/20 0.33
TRPM4 Q8TD43 1/20 0.32
CYP1B1 Q16678 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MLNR O43193 1/20 0.30
NR1I2 O75469 1/20 0.30
CHRM2 P08172 1/20 0.30
ADRB1 P08588 1/20 0.30
HTR1A P08908 1/20 0.30
ADRA2A P08913 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
SCHEMBL12127181 0.91 CYP11B1 (0.38) ALDH1A1HPGDHIF1AHSD17B10TSHR
SCHEMBL81926 0.91 CYP11B1 (0.38) ALDH1A1HPGDHIF1AHSD17B10TSHR
SCHEMBL80227 0.91 HPRT1 (0.37) ALDH1A1HPGDHIF1AHSD17B10TSHR
SCHEMBL10036758 0.88 CYP11B1 (0.38) ALDH1A1HPGDHIF1AHSD17B10TSHR
SCHEMBL81115 0.85 KDM4E (0.33) ALDH1A1HPGDMAPK1KMT2AKDM4E
SCHEMBL80745 0.85 ACACA (0.35) ALDH1A1HPGDCYP11B1KMT2AKDM4E
SCHEMBL80354 0.85 KMT2A (0.36) KMT2AMLNRNR1I2CHRM2ADRB1
SCHEMBL81041 0.85 HTR2A (0.36) KMT2AMLNRNR1I2CHRM2ADRB1
SCHEMBL80654 0.84 KMT2A (0.34) ALDH1A1KMT2AKDM4EMLNRNR1I2
SCHEMBL80360 0.83 HTR2A (0.37) KMT2AMLNRNR1I2CHRM2ADRB1

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 ALDH1A1 21/4885HPGD 1428/4885HIF1A 4608/4885

“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.