SCHEMBL22945697

SCHEMBL22945697

O=[N+]([O-])c1cccc2cccc(-c3ccccc3)c12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.67
▸ TDP1 Q9NUW8 3/20 0.67
▸ MAOA P21397 1/20 0.50
▸ KMT2A Q03164 4/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ S100A4 P26447 2/20 0.46
▸ PTPRC P08575 1/20 0.46
▸ MAPT P10636 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ CRHBP P24387 1/20 0.43
▸ CRHR2 Q13324 1/20 0.43
▸ GPR35 Q9HC97 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ PDE10A Q9Y233 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ RXFP1 Q9HBX9 2/20 0.41
▸ POLB P06746 1/20 0.41

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
SCHEMBL17283589 0.85 TDP1 (0.47) ALDH1A1TDP1KMT2AMEN1S100A4
SCHEMBL22945190 0.83 GSTP1 (0.47) ALDH1A1TDP1MAOAKMT2AMEN1
SCHEMBL17283633 0.82 TDP1 (0.45) ALDH1A1TDP1MAOAKMT2AMEN1
SCHEMBL22946064 0.81 ALDH1A1 (0.65) ALDH1A1TDP1KMT2AMEN1S100A4
Benzene SCHEMBL28038982 0.81 ALDH1A1 (1.00) ALDH1A1TDP1KMT2AMEN1S100A4
SCHEMBL44392 0.81 ALDH1A1 (1.00) ALDH1A1TDP1KMT2AMEN1S100A4
SCHEMBL30196067 0.81 ALDH1A1 (1.00) ALDH1A1TDP1KMT2AMEN1S100A4
SCHEMBL29626558 0.80 ALDH1A1 (0.61) ALDH1A1TDP1MAOAKMT2AMEN1
SCHEMBL187697 0.80 ALDH1A1 (0.61) ALDH1A1TDP1MAOAKMT2AMEN1
SCHEMBL23025146 0.79 ALDH1A1 (0.57) ALDH1A1TDP1KMT2AMEN1S100A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11812658-B2 Compound and organic light emitting diode comprising same LG CHEM, LTD. (KR) 2023-11-07 — — US disclosed
US-11812658-B2 Compound and organic light emitting diode comprising same LG CHEM, LTD. (KR) 2023-11-07 — — US disclosed
US-20210036236-A1 COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME LG CHEM, LTD. (KR) 2021-02-04 — — 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 (2 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-20210036236-A1 COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME DRD1, DRD3, DRD2 ALDH1A1 271/4885TDP1 4115/4885MAOA 1269/4885
US-11812658-B2 Compound and organic light emitting diode comprising same DRD1, DRD3, DRD2 ALDH1A1 271/4885TDP1 4115/4885MAOA 1269/4885

“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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