SCHEMBL13084014

SCHEMBL13084014

c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4cc(-c5ccc6ccccc6c5)nc5c4cc(-c4ccc6ccccc6c4)c4ccccc45)cc3)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.49
CYP1B1 Q16678 1/20 0.49
ACACA Q13085 5/20 0.44
CTRC Q99895 1/20 0.42
CYP1A2 P05177 2/20 0.41
CYP19A1 P11511 2/20 0.41
ALDH1A1 P00352 4/20 0.39
HPGD P15428 4/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 3/20 0.39
MAPT P10636 3/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MPI P34949 1/20 0.39
PIM1 P11309 1/20 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
SCHEMBL13642790 1.00 CYP1A1 (0.49) CYP1A1CYP1B1ACACACTRCCYP1A2
SCHEMBL13643087 1.00 CYP1A1 (0.49) CYP1A1CYP1B1ACACACTRCCYP1A2
SCHEMBL13643089 1.00 CYP1A1 (0.49) CYP1A1CYP1B1ACACACTRCCYP1A2
SCHEMBL13083979 0.97 CYP1A1 (0.48) CYP1A1CYP1B1ACACACTRCCYP1A2
SCHEMBL13083972 0.97 CYP1A1 (0.48) CYP1A1CYP1B1ACACACTRCCYP1A2
SCHEMBL17875502 0.92 CYP1A1 (0.50) CYP1A1CYP1B1ACACACYP1A2CYP19A1
SCHEMBL13643124 0.90 CYP19A1 (0.49) ACACACYP19A1ALDH1A1HPGDNPSR1
SCHEMBL13084019 0.90 CYP19A1 (0.49) ACACACYP19A1ALDH1A1HPGDNPSR1
SCHEMBL13643018 0.90 CYP19A1 (0.49) ACACACYP19A1ALDH1A1HPGDNPSR1
SCHEMBL13642879 0.90 CYP19A1 (0.49) ACACACYP19A1ALDH1A1HPGDNPSR1

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
EP-2508585-B1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT EMITTING DIODE INCLUDING THE SAME, AND DISPLAY DEVICE INCLUDING ORGANIC LIGHT EMITTING DIODE CHEIL IND INC (KR) 2016-06-29 EP disclosed
US-8796917-B2 Compound for an organic optoelectronic device, organic light emitting diode including the same, and display including the organic light emitting diode CHEIL INDUSTRIES, INC (KR) 2014-08-05 US disclosed
US-8796917-B2 Compound for an organic optoelectronic device, organic light emitting diode including the same, and display including the organic light emitting diode CHEIL INDUSTRIES, INC (KR) 2014-08-05 US disclosed
US-20120280613-A1 COMPOUND FOR AN ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT EMITTING DIODE INCLUDING THE SAME, AND DISPLAY INCLUDING THE ORGANIC LIGHT EMITTING DIODE CHEIL INDUSTRIES, INC. (KR) 2012-11-08 US disclosed
US-20120280613-A1 COMPOUND FOR AN ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT EMITTING DIODE INCLUDING THE SAME, AND DISPLAY INCLUDING THE ORGANIC LIGHT EMITTING DIODE CHEIL INDUSTRIES, INC. (KR) 2012-11-08 US disclosed
EP-2508585-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT EMITTING DIODE INCLUDING THE SAME, AND DISPLAY DEVICE INCLUDING ORGANIC LIGHT EMITTING DIODE Cheil Industries Inc. (KR) 2012-10-10 EP 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-20120280613-A1 COMPOUND FOR AN ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT EMITTING DIODE INCLUDING THE SAME, AND DISPLAY INCLUDING THE ORGANIC LIGHT EMITTING DIODE OR51E2, AOX1, OR10J3 CYP1A1 72/4885CYP1B1 37/4885ACACA 2421/4885

“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.