SCHEMBL68562

SCHEMBL68562

CC1(C)c2ccccc2-c2nc(Cl)ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 5/20 0.36
HTR2A P28223 2/20 0.35
MLNR O43193 1/20 0.35
NR1I2 O75469 1/20 0.35
CHRM2 P08172 1/20 0.35
ADRB1 P08588 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
CHRM1 P11229 1/20 0.35
DRD2 P14416 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
CHRM3 P20309 1/20 0.35
DRD1 P21728 1/20 0.35
SLC6A2 P23975 1/20 0.35
HTR2C P28335 1/20 0.35
SLC6A4 P31645 1/20 0.35
ADRA1A P35348 1/20 0.35
HRH1 P35367 1/20 0.35
OPRM1 P35372 1/20 0.35

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
SCHEMBL12127091 0.82 TDP2 (0.41) TDP2NSD2
SCHEMBL80360 0.81 HTR2A (0.37) PGRHTR2AMLNRNR1I2CHRM2
SCHEMBL81041 0.80 HTR2A (0.36) PGRHTR2AMLNRNR1I2CHRM2
SCHEMBL91566 0.80 HTR2A (0.36) PGRHTR2AMLNRNR1I2CHRM2
SCHEMBL17886472 0.79 CCR1 (0.32) TDP2NSD2
SCHEMBL12228222 0.79 HTR2A (0.35) PGRHTR2AMLNRNR1I2CHRM2
SCHEMBL69285 0.78 MEN1 (0.32) TDP2NSD2KMT2A
SCHEMBL29926719 0.78 MEN1 (0.32) TDP2NSD2KMT2A
SCHEMBL81037 0.77 MLNR (0.34) PGRHTR2AMLNRNR1I2CHRM2
SCHEMBL80334 0.77 KMT2A (0.36) PGRHTR2AMLNRNR1I2CHRM2

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8841004-B2 Binaphthyl compound and organic light emitting element using the same CANON KABUSHIKI KAISHA (JP) 2014-09-23 US disclosed
US-8841004-B2 Binaphthyl compound and organic light emitting element using the same CANON KABUSHIKI KAISHA (JP) 2014-09-23 US disclosed
US-20120061657-A1 BINAPHTHYL COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT USING THE SAME CANON KABUSHIKI KAISHA (JP) 2012-03-15 US disclosed
US-20120061657-A1 BINAPHTHYL COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT USING THE SAME CANON KABUSHIKI KAISHA (JP) 2012-03-15 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-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-20120049176-A1 AZAFLUORENE DERIVATIVE AND ORGANIC LIGHT-EMITTING DEVICE USING THE DERIVATIVE CANON KABUSHIKI KAISHA (JP) 2012-03-01 US disclosed
US-8034944-B2 Benzofluoranthene compound and organic light-emitting device using the compound CANON KABUSHIKI KAISHA (JP) 2011-10-11 US disclosed
US-8034944-B2 Benzofluoranthene compound and organic light-emitting device using the compound CANON KABUSHIKI KAISHA (JP) 2011-10-11 US disclosed
US-20090278118-A1 BENZOFLUORANTHENE COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING THE COMPOUND CANON KABUSHIKI KAISHA (JP) 2009-11-12 US disclosed
US-20090278118-A1 BENZOFLUORANTHENE COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING THE COMPOUND CANON KABUSHIKI KAISHA (JP) 2009-11-12 US disclosed
US-20090091252-A1 BINAPHTHYL COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT USING THE SAME CANON KABUSHIKI KAISHA (JP) 2009-04-09 US disclosed
US-20090091252-A1 BINAPHTHYL COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT USING THE SAME CANON KABUSHIKI KAISHA (JP) 2009-04-09 US disclosed
EP-2045231-A1 Binaphthyl compound and organic light emitting element using the same Canon Kabushiki Kaisha (JP) 2009-04-08 EP 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
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 (3 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-20090091252-A1 BINAPHTHYL COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT USING THE SAME ALPL, MT-ND4L, LAGE3 PGR 2596/4885HTR2A 4637/4885MLNR 4379/4885
US-20080154040-A1 AZAFLUORENE DERIVATIVE AND ORGANIC LIGHT-EMITTING DEVICE USING THE DERIVATIVE AZI2, CYP1A2, CYP2C19 PGR 2453/4885HTR2A 3128/4885MLNR 4269/4885
US-20090278118-A1 BENZOFLUORANTHENE COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING THE COMPOUND XDH, XPO6, PAX3 PGR 1376/4885HTR2A 3939/4885MLNR 4373/4885

“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.