SCHEMBL81932

SCHEMBL81932

CC1(C)c2ccccc2-c2nc(-c3ccc(-c4ccccc4)c4ccccc34)ccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
HPGD P15428 1/20 0.33
TNF P01375 1/20 0.33
ACACA Q13085 2/20 0.31
ENPP3 O14638 1/20 0.31
ENPP1 P22413 1/20 0.31
ATR Q13535 1/20 0.31
THRB P10828 1/20 0.31
PGR P06401 1/20 0.31
GPR55 Q9Y2T6 1/20 0.30
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
PKM P14618 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 1/20 0.30
PDK2 Q15119 1/20 0.30
MLNR O43193 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
SCHEMBL80659 0.93 ENPP1 (0.36) ALDH1A1KDM4EHPGDACACAENPP3
SCHEMBL81115 0.91 KDM4E (0.33) ALDH1A1KDM4EHPGDPGRKMT2A
SCHEMBL80745 0.88 ACACA (0.35) ALDH1A1KDM4EHPGDACACATHRB
SCHEMBL81054 0.87 KMT2A (0.34) ALDH1A1KDM4ETHRBPGRGPR55
SCHEMBL12202320 0.85 ENPP1 (0.32) ALDH1A1KDM4EHPGDENPP1
SCHEMBL81041 0.85 HTR2A (0.36) PGRMEN1KMT2APDK2MLNR
SCHEMBL80637 0.84 CRHBP (0.39) ALDH1A1KDM4EHPGDMAPTHSD17B10
SCHEMBL81166 0.84 ACACA (0.45) ALDH1A1KDM4EHPGDACACAMEN1
SCHEMBL80360 0.83 HTR2A (0.37) PGRMEN1KMT2APDK2MLNR
SCHEMBL80696 0.83 MLNR (0.30) MLNRNR1I2CHRM2ADRB1HTR1A

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 21/4885KDM4E 852/4885HPGD 1428/4885

“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.