SCHEMBL824170

SCHEMBL824170

OC1(c2ccccc2)c2ccccc2C(O)(c2ccccc2)c2cc(Cl)ccc21

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 1/20 0.46
PDK2 Q15119 5/20 0.45
P2RX1 P51575 1/20 0.45
P2RX3 P56373 1/20 0.45
P2RX4 Q99571 1/20 0.45
P2RX7 Q99572 1/20 0.45
SCN9A Q15858 1/20 0.43
ALDH1A1 P00352 1/20 0.35
CYP2A6 P11509 1/20 0.34
AKR1A1 P14550 1/20 0.34
AKR1B1 P15121 1/20 0.34

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
SCHEMBL25625063 0.88 MAP3K14 (0.41) MAP3K14PDK2P2RX1P2RX3P2RX4
SCHEMBL28016272 0.86 MDM2 (0.42) MAP3K14PDK2P2RX1P2RX3P2RX4
SCHEMBL7312413 0.85 PDK2 (0.53) MAP3K14PDK2P2RX1P2RX3P2RX4
SCHEMBL14884460 0.84 P2RX1 (0.47) MAP3K14PDK2P2RX1P2RX3P2RX4
SCHEMBL34461881 0.82 SCN9A (0.51) PDK2SCN9AALDH1A1
SCHEMBL824169 0.81 CYP2A6 (0.50) MAP3K14PDK2CYP2A6
SCHEMBL1758787 0.81 P2RX1 (0.53) PDK2P2RX1P2RX3P2RX4P2RX7
SCHEMBL23040661 0.81 AHR (0.43) MAP3K14PDK2P2RX1P2RX3P2RX4
SCHEMBL23125610 0.80 BCHE (0.45) MAP3K14PDK2P2RX1P2RX3P2RX4
SCHEMBL13658982 0.79 CYP2A6 (0.52) MAP3K14PDK2CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8771842-B2 Benzo[b]chrysene compound and organic light-emitting element including the same CANON KABUSHIKI KAISHA (JP) 2014-07-08 US disclosed
US-8771842-B2 Benzo[b]chrysene compound and organic light-emitting element including the same CANON KABUSHIKI KAISHA (JP) 2014-07-08 US disclosed
US-8143781-B2 Organic electroluminescent compounds with high efficiency and display device using the same ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2012-03-27 US disclosed
US-8143781-B2 Organic electroluminescent compounds with high efficiency and display device using the same ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2012-03-27 US disclosed
US-20110240974-A1 NOVEL BENZO[b]CHRYSENE COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT INCLUDING THE SAME CANON KABUSHIKI KAISHA (JP) 2011-10-06 US disclosed
US-20110240974-A1 NOVEL BENZO[b]CHRYSENE COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT INCLUDING THE SAME CANON KABUSHIKI KAISHA (JP) 2011-10-06 US disclosed
US-20110109223-A1 ORGANIC ELECTROLUMINESCENT COMPOUNDS WITH HIGH EFFICIENCY AND DISPLAY DEVICE USING THE SAME GRACEL DISPLAY INC. (KR) 2011-05-12 US disclosed
US-20110109223-A1 ORGANIC ELECTROLUMINESCENT COMPOUNDS WITH HIGH EFFICIENCY AND DISPLAY DEVICE USING THE SAME GRACEL DISPLAY INC. (KR) 2011-05-12 US disclosed
US-20090251049-A1 Organic electroluminescent device utilizing organic electroluminescent compounds GRACEL DISPLAY INC. (KR) 2009-10-08 US disclosed
US-20090251049-A1 Organic electroluminescent device utilizing organic electroluminescent compounds GRACEL DISPLAY INC. (KR) 2009-10-08 US disclosed
EP-2100940-A2 Organic electroluminescent device using organic electroluminescent compounds Gracel Display Inc. (KR) 2009-09-16 EP disclosed
WO-2009066803-A1 ORGANIC ELECTROLUMINESCENT COMPOUNDS WITH HIGH EFFICIENCY AND DISPLAY DEVICE USING THE SAME GRACEL DISPLAY INC. (KR) 2009-05-28 WO 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 (3 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-20090251049-A1 Organic electroluminescent device utilizing organic electroluminescent compounds OCIAD2, OCIAD1, LAGE3 MAP3K14 2643/4885PDK2 510/4885P2RX1 1552/4885
US-20110240974-A1 NOVEL BENZO[b]CHRYSENE COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT INCLUDING THE SAME AHR, NR0B2, NR0B1 MAP3K14 3908/4885PDK2 2486/4885P2RX1 2473/4885
US-20110109223-A1 ORGANIC ELECTROLUMINESCENT COMPOUNDS WITH HIGH EFFICIENCY AND DISPLAY DEVICE USING THE SAME EED, EPHA4, NECTIN4 MAP3K14 3435/4885PDK2 2271/4885P2RX1 915/4885

“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.