SCHEMBL13643226

SCHEMBL13643226

c1ccc2cc(-c3ccc(-c4cc(-c5ccc6ccccc6c5)c5cc(-c6ccc7ccccc7c6)c6ccccc6c5n4)cc3)ccc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.45
CYP1B1 Q16678 1/20 0.45
ESR1 P03372 3/20 0.44
ESR2 Q92731 3/20 0.44
GSTP1 P09211 1/20 0.44
CYP1A2 P05177 4/20 0.44
CYP11B1 P15538 2/20 0.44
CYP11B2 P19099 2/20 0.44
CYP17A1 P05093 1/20 0.44
CYP19A1 P11511 1/20 0.44
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PIM1 P11309 1/20 0.40
ACACA Q13085 1/20 0.40
DHFR P00374 1/20 0.40
ALOX5 P09917 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39

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
SCHEMBL17875502 0.94 CYP1A1 (0.50) CYP1A1CYP1B1ESR1ESR2CYP1A2
SCHEMBL13083979 0.91 CYP1A1 (0.48) CYP1A1CYP1B1ESR1ESR2GSTP1
SCHEMBL17875501 0.91 CTRC (0.50) CYP1A1CYP1B1GSTP1CYP1A2CYP2C9
SCHEMBL13083972 0.91 CYP1A1 (0.48) CYP1A1CYP1B1ESR1ESR2GSTP1
SCHEMBL13642940 0.91 ALDH1A1 (0.46) CYP1A1CYP1B1GSTP1CYP1A2CYP11B1
SCHEMBL13084014 0.89 CYP1A1 (0.49) CYP1A1CYP1B1GSTP1CYP1A2CYP11B1
SCHEMBL13642790 0.89 CYP1A1 (0.49) CYP1A1CYP1B1GSTP1CYP1A2CYP11B1
SCHEMBL13643087 0.89 CYP1A1 (0.49) CYP1A1CYP1B1GSTP1CYP1A2CYP11B1
SCHEMBL13643089 0.89 CYP1A1 (0.49) CYP1A1CYP1B1GSTP1CYP1A2CYP11B1
SCHEMBL13084011 0.88 CYP1A1 (0.48) CYP1A1CYP1B1GSTP1CYP1A2CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 37/4885ESR1 232/4885

“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.