SCHEMBL81054

SCHEMBL81054

CC1(C)c2ccccc2-c2nc(-c3cc(-c4ccc5c(n4)-c4ccccc4C5(C)C)c(-c4ccccc4)cc3-c3ccccc3)ccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.34
MAPT P10636 3/20 0.34
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 2/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
PKM P14618 1/20 0.34
RAB9A P51151 1/20 0.34
THRB P10828 1/20 0.34
MAP4K1 Q92918 2/20 0.33
RARB P10826 1/20 0.33
RARG P13631 1/20 0.33
RXRA P19793 1/20 0.33
SQOR Q9Y6N5 1/20 0.32
PGR P06401 1/20 0.31
GPR55 Q9Y2T6 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31

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
SCHEMBL80354 0.92 KMT2A (0.36) KMT2APGRPDK2MLNRNR1I2
SCHEMBL81932 0.87 ALDH1A1 (0.33) KMT2AMAPTALDH1A1MEN1KDM4E
SCHEMBL80742 0.87 KMT2A (0.35) KMT2AMAPTALDH1A1MEN1KDM4E
SCHEMBL80745 0.86 ACACA (0.35) KMT2AMAPTALDH1A1MEN1KDM4E
SCHEMBL80800 0.86 KMT2A (0.36) KMT2AMAPTALDH1A1MEN1KDM4E
SCHEMBL81041 0.86 HTR2A (0.36) KMT2AMEN1PGRPDK2MLNR
SCHEMBL81165 0.85 KMT2A (0.41) KMT2AMAPTALDH1A1MEN1KDM4E
SCHEMBL10036759 0.85 KMT2A (0.34) KMT2AMAPTALDH1A1MEN1KDM4E
SCHEMBL82037 0.84 KMT2A (0.35) KMT2AMAPTALDH1A1MEN1KDM4E
SCHEMBL80360 0.84 HTR2A (0.37) KMT2AMEN1PGRPDK2MLNR

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 KMT2A 699/4885MAPT 3499/4885ALDH1A1 21/4885

“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.