SCHEMBL14726869

SCHEMBL14726869

Clc1cc2c(-c3ccccc3)c3ccccc3c(-c3ccccc3)c2cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.43
ESR2 Q92731 6/20 0.43
ESR1 P03372 5/20 0.43
AHR P35869 1/20 0.42
CYP2A6 P11509 2/20 0.42
CYP1A2 P05177 2/20 0.42
HTT P42858 2/20 0.41
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAP2 P11137 2/20 0.38

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
SCHEMBL3465721 0.85 ACHE (0.50) ACHEESR2ESR1HTTMAPT
SCHEMBL15116969 0.85 AHR (0.52) ACHEESR2ESR1AHRCYP2A6
SCHEMBL14726974 0.83 ACHE (0.46) ACHEAHRCYP2A6CYP1A2HTT
SCHEMBL29416110 0.82 ESR1 (0.53) ESR2ESR1CYP1A2MAPTLMNA
SCHEMBL574096 0.82 ESR1 (0.53) ESR2ESR1CYP1A2MAPTLMNA
SCHEMBL22512513 0.82 CYP2A6 (0.50) ACHEESR2ESR1CYP2A6CYP1A2
SCHEMBL36757 0.82 ACHE (0.56) ACHEESR2ESR1HTTMAPT
SCHEMBL29354925 0.82 ACHE (0.56) ACHEESR2ESR1HTTMAPT
SCHEMBL25677354 0.81 ACHE (0.38) ACHEESR2ESR1CYP2A6CYP1A2
SCHEMBL9971795 0.80 MAOA (0.48) ACHEESR2ESR1CYP2A6CYP1A2

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9601701-B2 Organic compound and organic light-emitting device CANON KABUSHIKI KAISHA (JP) 2017-03-21 US disclosed
US-9601701-B2 Organic compound and organic light-emitting device CANON KABUSHIKI KAISHA (JP) 2017-03-21 US disclosed
US-9590183-B2 Organic compound and organic light-emitting device including the same CANON KABUSHIKI KAISHA (JP) 2017-03-07 US disclosed
US-9590183-B2 Organic compound and organic light-emitting device including the same CANON KABUSHIKI KAISHA (JP) 2017-03-07 US disclosed
US-8859112-B2 Organic compound and organic light emitting element using the same CANON KABUSHIKI KAISHA (JP) 2014-10-14 US disclosed
US-8859112-B2 Organic compound and organic light emitting element using the same CANON KABUSHIKI KAISHA (JP) 2014-10-14 US disclosed
US-20140264312-A1 NOVEL ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE CANON KABUSHIKI KAISHA (JP) 2014-09-18 US disclosed
US-20140264312-A1 NOVEL ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE CANON KABUSHIKI KAISHA (JP) 2014-09-18 US disclosed
US-20140264318-A1 NOVEL ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CANON KABUSHIKI KAISHA (JP) 2014-09-18 US disclosed
US-20140264318-A1 NOVEL ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CANON KABUSHIKI KAISHA (JP) 2014-09-18 US disclosed
WO-2013077142-A1 NOVEL ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CANON KABUSHIKI KAISHA (JP) 2013-05-30 WO disclosed
WO-2013058137-A1 NOVEL ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE CANON KABUSHIKI KAISHA (JP) 2013-04-25 WO disclosed
US-20130049581-A1 NOVEL ORGANIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT USING THE SAME CANON KABUSHIKI KAISHA (JP) 2013-02-28 US disclosed
US-20130049581-A1 NOVEL ORGANIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT USING THE SAME CANON KABUSHIKI KAISHA (JP) 2013-02-28 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-20130049581-A1 NOVEL ORGANIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT USING THE SAME LEF1, CYP1A1, TCF7L2 ACHE 3578/4885ESR2 213/4885ESR1 123/4885

“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.