SCHEMBL4554317

SCHEMBL4554317

O=[N+]([O-])c1ccc(Cl)cc1-c1cccc2c1oc1ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ ALOX5 P09917 2/20 0.46
▸ MAPT P10636 6/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ AHR P35869 1/20 0.44
▸ MAPK1 P28482 3/20 0.43
▸ HTT P42858 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ TSHR P16473 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ PRKDC P78527 2/20 0.40
▸ GSK3B P49841 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ GABRP O00591 2/20 0.39
▸ GABRD O14764 2/20 0.39
▸ GABRA1 P14867 2/20 0.39
▸ GABRB1 P18505 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
SCHEMBL4554998 0.90 ALOX5 (0.49) LMNAALDH1A1ALOX5MAPTKMT2A
SCHEMBL29506802 0.85 ALDH1A1 (0.57) LMNAALDH1A1ALOX5MAPTKMT2A
SCHEMBL782755 0.85 ALDH1A1 (0.57) LMNAALDH1A1ALOX5MAPTKMT2A
SCHEMBL23351555 0.85 MAPT (0.51) LMNAALDH1A1ALOX5MAPTKMT2A
SCHEMBL15497551 0.85 ALDH1A1 (0.49) LMNAALDH1A1ALOX5MAPTKMT2A
SCHEMBL8816924 0.85 GABRA1 (0.53) LMNAALDH1A1ALOX5MAPTKMT2A
SCHEMBL19863146 0.83 ALDH1A1 (0.53) LMNAALDH1A1ALOX5MAPTKMT2A
SCHEMBL25561346 0.82 MAPK1 (0.56) LMNAALDH1A1MAPTKMT2AMEN1
SCHEMBL15497550 0.80 ALDH1A1 (0.44) LMNAALDH1A1ALOX5MAPTKMT2A
SCHEMBL31683839 0.79 L3MBTL1 (0.43) LMNAALDH1A1MAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9246107-B2 Compound for organic optoelectronic device, organic light emitting diode including the same and display device including the organic light emitting diode CHEIL INDUSTRIES, INC. (KR) 2016-01-26 — — US disclosed
US-9246107-B2 Compound for organic optoelectronic device, organic light emitting diode including the same and display device including the organic light emitting diode CHEIL INDUSTRIES, INC. (KR) 2016-01-26 — — US disclosed
US-20120112174-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT EMITTING DIODE INCLUDING THE SAME AND DISPLAY DEVICE INCLUDING THE ORGANIC LIGHT EMITTING DIODE CHEIL INDUSTRIES, INC. (KR) 2012-05-10 — — US disclosed
US-20120112174-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT EMITTING DIODE INCLUDING THE SAME AND DISPLAY DEVICE INCLUDING THE ORGANIC LIGHT EMITTING DIODE CHEIL INDUSTRIES, INC. (KR) 2012-05-10 — — US disclosed
EP-2450975-A2 Compound for organic optoelectronic device and organic light emitting diode including the same Cheil Industries Inc. (KR) 2012-05-09 — — 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-20120112174-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT EMITTING DIODE INCLUDING THE SAME AND DISPLAY DEVICE INCLUDING THE ORGANIC LIGHT EMITTING DIODE AOX1, OCIAD1, OCIAD2 LMNA 4819/4885ALDH1A1 14/4885ALOX5 380/4885

“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.

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