SCHEMBL16889403

SCHEMBL16889403

c1ccc2c(c1)Oc1cccc3c1B2c1c2c(c4c(c1O3)B1c3ccccc3Oc3cccc(c31)O4)B1c3ccccc3Oc3cccc(c31)O2

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AHR P35869 3/20 0.39
ALOX5 P09917 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPK1 P28482 1/20 0.31
ATM Q13315 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
SCHEMBL16889221 0.87 MAOA (0.36) AHRALOX5MAOAMAOBKDM4E
SCHEMBL29470906 0.87 MAOA (0.36) AHRALOX5MAOAMAOBKDM4E
SCHEMBL26875067 0.86 AHR (0.38) AHRALOX5MAOAMAOB
SCHEMBL16889405 0.85 AHR (0.35) AHR
SCHEMBL24255034 0.85 AHR (0.35) AHR
SCHEMBL16890652 0.84 AHR (0.34) AHR
SCHEMBL24677288 0.83 AHR (0.36) AHRKDM4EMAPK1ATM
SCHEMBL24665939 0.83 AHR (0.32) AHR
SCHEMBL16889404 0.83 AHR (0.39) AHRALOX5MAOAMAOB
SCHEMBL31340143 0.83 AHR (0.39) AHRALOX5MAOAMAOB

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230145235-A1 ORGANIC ELECTROLUMINESCENT DEVICE NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) 2023-05-11 US disclosed
US-20230145235-A1 ORGANIC ELECTROLUMINESCENT DEVICE NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) 2023-05-11 US disclosed
US-11647666-B2 Organic electroluminescent element KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2023-05-09 US disclosed
US-11647666-B2 Organic electroluminescent element KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2023-05-09 US disclosed
US-20230139757-A1 ORGANIC ELECTROLUMINESCENT DEVICE NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) 2023-05-04 US disclosed
US-20230139757-A1 ORGANIC ELECTROLUMINESCENT DEVICE NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) 2023-05-04 US disclosed
US-20230136708-A1 ORGANIC ELECTROLUMINESCENT ELEMENT NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) 2023-05-04 US disclosed
US-20230136708-A1 ORGANIC ELECTROLUMINESCENT ELEMENT NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) 2023-05-04 US disclosed
US-20230058635-A1 ELECTRONIC DEVICE MERCK PATENT GMBH (DE) 2023-02-23 US disclosed
US-20230059210-A1 ELECTRONIC DEVICE MERCK PATENT GMBH (DE) 2023-02-23 US disclosed
WO-2020109269-A1 ELECTRONIC DEVICE MERCK PATENT GMBH (DE) 2020-06-04 WO disclosed
US-20200144513-A1 POLYCYCLIC AROMATIC COMPOUND KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2020-05-07 US disclosed
US-20200144515-A1 POLYCYCLIC AROMATIC COMPOUND KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2020-05-07 US disclosed
EP-3648188-A1 ORGANIC ELECTROLUMINESCENT ELEMENT Kwansei Gakuin Educational Foundation (JP) 2020-05-06 EP disclosed
US-10374166-B2 Polycyclic aromatic compound KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2019-08-06 US disclosed
US-20190181350-A1 DEUTERIUM-SUBSTITUTED POLYCYCLIC AROMATIC COMPOUND KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2019-06-13 US disclosed
EP-3345911-A1 POLYCYCLIC AROMATIC COMPOUNDS AND THEIR USE AS ORGANIC DEVICE MATERIAL Kwansei Gakuin Educational Foundation (JP) 2018-07-11 EP disclosed
US-20150236274-A1 POLYCYCLIC AROMATIC COMPOUND KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2015-08-20 US disclosed
US-20150236274-A1 POLYCYCLIC AROMATIC COMPOUND KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2015-08-20 US disclosed
WO-2015102118-A1 POLYCYCLIC AROMATIC COMPOUND 学校法人関西学院 2015-07-09 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 (5 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-20190181350-A1 DEUTERIUM-SUBSTITUTED POLYCYCLIC AROMATIC COMPOUND ARNT, ELOC, AHR AHR 3/4885ALOX5 1045/4885MAOA 2248/4885
US-20150236274-A1 POLYCYCLIC AROMATIC COMPOUND PAH, ALK, AOC2 AHR 20/4885ALOX5 3629/4885MAOA 308/4885
US-20200144513-A1 POLYCYCLIC AROMATIC COMPOUND PAH, ALK, AOC2 AHR 20/4885ALOX5 3629/4885MAOA 308/4885
US-20200144515-A1 POLYCYCLIC AROMATIC COMPOUND PAH, ALK, AOC2 AHR 20/4885ALOX5 3629/4885MAOA 308/4885
US-10374166-B2 Polycyclic aromatic compound PAH, ALK, AOC2 AHR 20/4885ALOX5 3629/4885MAOA 308/4885

“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.