SCHEMBL14680469

SCHEMBL14680469

Clc1cc2c(-c3ccccc3)c3c(c(-c4ccccc4)c2cc1-c1ccc2c4cccc5cccc(c6cccc1c62)c54)-c1ccc2c4cccc5cccc(c6ccc-3c1c62)c54

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.33
ERBB2 P04626 1/20 0.33
FYN P06241 1/20 0.33
MAOA P21397 1/20 0.33
ACHE P22303 1/20 0.33
AHR P35869 1/20 0.33
THRB P10828 2/20 0.32
THRA P10827 1/20 0.32
ESR1 P03372 3/20 0.32
ESR2 Q92731 3/20 0.32
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PRKAB2 O43741 1/20 0.31
PRKAG1 P54619 1/20 0.31
PRKAA2 P54646 1/20 0.31
PRKAA1 Q13131 1/20 0.31
PRKAG3 Q9UGI9 1/20 0.31
PRKAG2 Q9UGJ0 1/20 0.31
PRKAB1 Q9Y478 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
SCHEMBL14680417 0.93 ALDH1A1 (0.34) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL14726885 0.91 ESR1 (0.36) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL16357066 0.89 ALDH1A1 (0.38) CYP1A2THRBTHRAESR1ESR2
SCHEMBL14820667 0.87 THRA (0.35) CYP1A2THRBTHRAESR1ESR2
SCHEMBL14680398 0.85 CYP1A2 (0.33) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL14680392 0.84 ALDH1A1 (0.37) CYP1A2THRBTHRAESR1ESR2
SCHEMBL26726672 0.82 ALDH1A1 (0.42) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL21889355 0.81 ALDH1A1 (0.38) CYP1A2THRBTHRAESR1ESR2
SCHEMBL12683623 0.80 CYP1A2 (0.37) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL14680277 0.74 CA12 (0.35) CYP1A2THRBTHRAESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8963813-B2 Organic compound and organic light emitting device having the same CANON KABUSHIKI KAISHA (JP) 2015-02-24 US disclosed
US-8963813-B2 Organic compound and organic light emitting device having the same CANON KABUSHIKI KAISHA (JP) 2015-02-24 US disclosed
US-20140231787-A1 WHITE ORGANIC EL ELEMENT AND ILLUMINATING APPARATUS AND DISPLAY APPARATUS USING THE SAME CANON KABUSHIKI KAISHA (JP) 2014-08-21 US disclosed
US-20140231787-A1 WHITE ORGANIC EL ELEMENT AND ILLUMINATING APPARATUS AND DISPLAY APPARATUS USING THE SAME CANON KABUSHIKI KAISHA (JP) 2014-08-21 US disclosed
US-20130033416-A1 ORGANIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE HAVING THE SAME CANON KABUSHIKI KAISHA (JP) 2013-02-07 US disclosed
US-20130033416-A1 ORGANIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE HAVING THE SAME CANON KABUSHIKI KAISHA (JP) 2013-02-07 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-20130033416-A1 ORGANIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE HAVING THE SAME TRPA1, OCIAD1, BMP2 CYP1A2 107/4885ERBB2 3687/4885FYN 2317/4885

“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.