SCHEMBL80309

SCHEMBL80309

CC1(C)c2ccccc2-c2nc(-c3cnc4c(ccc5cccnc54)c3)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 5/20 0.44
CCR8 P51685 5/20 0.44
CCR5 P51681 3/20 0.44
KDM4E B2RXH2 4/20 0.38
L3MBTL1 Q9Y468 4/20 0.38
MAPT P10636 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
THRB P10828 1/20 0.38
RECQL P46063 1/20 0.38
RAB9A P51151 1/20 0.38
GMNN O75496 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
HSP90AA1 P07900 1/20 0.37
MMP2 P08253 1/20 0.37

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
SCHEMBL80795 0.93 KDM4E (0.35) CCR1CCR8CCR5KDM4EKMT2A
SCHEMBL81168 0.85 PDK2 (0.38) KMT2ANPC1LMNACYP1A2CYP2C19
SCHEMBL80785 0.85 PDK2 (0.34) KDM4EKMT2APDK2
SCHEMBL82020 0.84 PDK2 (0.37) KMT2ANPC1LMNACYP1A2CYP2C19
SCHEMBL82016 0.83 PDGFRB (0.41) KMT2AMTORCYP1A2
SCHEMBL81183 0.82 PDK2 (0.38) L3MBTL1KMT2AHTR2AHTR2CHTR2B
SCHEMBL80388 0.82 PDK2 (0.40) KMT2ANPC1LMNABACE1CYP1A2
SCHEMBL21841119 0.81 CCR1 (0.43) CCR1CCR8CCR5KDM4EL3MBTL1
SCHEMBL21841056 0.81 CCR1 (0.43) CCR1CCR8CCR5KDM4EL3MBTL1
SCHEMBL81955 0.80 MAOB (0.38) KDM4EMAPTALDH1A1KMT2ANPC1

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 CCR1 4781/4885CCR8 4628/4885CCR5 4567/4885

“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.