SCHEMBL20180835

SCHEMBL20180835

c1ccc(N2B(c3cccc(-c4ccc5c6ccccc6c6ccccc6c5c4)c3)OB(c3cccc(-c4ccc5c6ccccc6c6ccccc6c5c4)c3)N2c2ccccc2)cc1

nearest known ligand 0.31

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HSP90AA1 P07900 1/20 0.31
PKM P14618 1/20 0.31
HTT P42858 1/20 0.31
ATM Q13315 1/20 0.31
MGLL Q99685 1/20 0.31
PLA2G10 O15496 1/20 0.31
PLA2G2A P14555 1/20 0.31
PLA2G4A P47712 1/20 0.31

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
SCHEMBL20180734 0.79 FAAH (0.32) FAAHALDH1A1HSP90AA1PKMHTT
SCHEMBL20180755 0.79 FAAH (0.33) FAAHALDH1A1HSP90AA1PKMHTT
SCHEMBL20180797 0.75
SCHEMBL20180733 0.74 L3MBTL1 (0.46) ALDH1A1HTTATM
SCHEMBL20735422 0.72 FAAH (0.33) FAAHALDH1A1HSP90AA1PKMHTT
SCHEMBL20180700 0.70 PLA2G2A (0.31) PLA2G2APLA2G4A
SCHEMBL23432303 0.69 MEN1 (0.48) ALDH1A1MGLLPLA2G10PLA2G2APLA2G4A
SCHEMBL14958604 0.69 MEN1 (0.48) ALDH1A1MGLLPLA2G10PLA2G2APLA2G4A
SCHEMBL22173462 0.69 MEN1 (0.48) ALDH1A1MGLLPLA2G10PLA2G2APLA2G4A
SCHEMBL20431790 0.69 MEN1 (0.48) ALDH1A1MGLLPLA2G10PLA2G2APLA2G4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180226580-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION 2018-08-09 US disclosed
US-20180145264-A1 Organic Electroluminescent Device; A Charge Transporting Material For The Organic Electroluminescent Device; And A Luminescent Device, A Display Device And A Lighting System Using The Organic Electroluminescent Device UDC IRELAND LTD (IE) 2018-05-24 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-20180145264-A1 Organic Electroluminescent Device; A Charge Transporting Material For The Organic Electroluminescent Device; And A Luminescent Device, A Display Device And A Lighting System Using The Organic Electroluminescent Device SLC43A1, SLC6A19, AOC3 FAAH 3713/4885ALDH1A1 279/4885HSP90AA1 4431/4885
US-20180226580-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES SLCO4C1, SLCO2A1, SLCO2B1 FAAH 1829/4885ALDH1A1 1733/4885HSP90AA1 4303/4885

“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.