SCHEMBL13643295

SCHEMBL13643295

Clc1cc(-c2ccc3ccccc3c2)nc2c1cc(-c1ccc3ccccc3c1)c1ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.44
ALDH1A1 P00352 3/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CYP1A1 P04798 1/20 0.42
CYP1B1 Q16678 1/20 0.42
GSTP1 P09211 1/20 0.41
MAPT P10636 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
PIM1 P11309 1/20 0.40
KDR P35968 1/20 0.39
ALOX5 P09917 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
AR P10275 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
GFER P55789 1/20 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
SCHEMBL13643302 0.89 CYP11B1 (0.41) CYP1A2ALDH1A1CYP2C9HPGDCYP2C19
SCHEMBL13643293 0.87 GSTP1 (0.42) CYP1A2ALDH1A1CYP2C9HPGDCYP2C19
SCHEMBL13643226 0.83 CYP1A1 (0.45) CYP1A2ALDH1A1CYP2C9HPGDCYP2C19
SCHEMBL13643298 0.81 ADORA1 (0.49) ALDH1A1HPGDNPSR1MAPTL3MBTL1
SCHEMBL13642793 0.80 CYP1A1 (0.47) CYP1A2ALDH1A1CYP2C9HPGDCYP2C19
SCHEMBL13643083 0.80 CYP1A1 (0.47) CYP1A2ALDH1A1CYP2C9HPGDCYP2C19
SCHEMBL13642759 0.80 MAPK10 (0.47) CYP1A2ALDH1A1CYP2C9HPGDCYP2C19
SCHEMBL13643061 0.80 MAPK10 (0.47) CYP1A2ALDH1A1CYP2C9HPGDCYP2C19
SCHEMBL13083882 0.79 CYP1A1 (0.52) CYP1A2ALDH1A1CYP2C9HPGDCYP2C19
SCHEMBL13643089 0.79 CYP1A1 (0.49) CYP1A2ALDH1A1CYP2C9HPGDCYP2C19

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 CYP1A2 153/4885ALDH1A1 15/4885CYP2C9 59/4885

“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.