SCHEMBL70455

SCHEMBL70455

O=C1C=Cc2ccc3ncccc3c2C1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES1 P23141 3/20 0.56
▸ MAPT P10636 3/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ NCOA1 Q15788 2/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ LMNA P02545 4/20 0.40
▸ HTT P42858 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ HIF1A Q16665 2/20 0.40
▸ HSP90AA1 P07900 1/20 0.40
▸ HSP90AB1 P08238 1/20 0.40
▸ BLM P54132 1/20 0.40
▸ ERN1 O75460 1/20 0.38
▸ CYP1A2 P05177 2/20 0.37
▸ CYP1B1 Q16678 1/20 0.37
▸ S100A4 P26447 1/20 0.37
▸ CDC25B P30305 1/20 0.37
▸ NCOA3 Q9Y6Q9 1/20 0.36
▸ MET P08581 1/20 0.36

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
SCHEMBL7641445 0.75 CES1 (0.46) CES1MAPTKDM4ELMNAMEN1
SCHEMBL7559601 0.73 CES1 (0.56) CES1MAPTKDM4ECYP3A4LMNA
SCHEMBL1037948 0.72 MAPT (0.47) MAPTKDM4ENCOA1CYP3A4LMNA
SCHEMBL380656 0.72 CES1 (1.00) CES1MAPTKDM4ELMNAMEN1
Benzoquinone SCHEMBL1512987 0.70 MAPT (0.73) MAPTKDM4ENCOA1CYP3A4LMNA
SCHEMBL13859959 0.69 MAPT (0.71) MAPTKDM4ENCOA1CYP3A4LMNA
SCHEMBL4449670 0.69 CES1 (0.59) CES1MAPTKDM4ECYP3A4LMNA
SCHEMBL217044 0.69 MAPT (1.00) MAPTKDM4ENCOA1CYP3A4LMNA
SCHEMBL7658855 0.68 MAPT (0.50) MAPTKDM4ENCOA1CYP3A4LMNA
SCHEMBL29460197 0.68 CES1 (0.83) CES1MAPTKDM4ELMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129899-B1 Azafluorene derivative and organic light-emitting device using the derivative CANON KABUSHIKI KAISHA (JP) 2012-03-06 — — US disclosed
US-20120049176-A1 AZAFLUORENE DERIVATIVE AND ORGANIC LIGHT-EMITTING DEVICE USING THE DERIVATIVE CANON KABUSHIKI KAISHA (JP) 2012-03-01 — — US disclosed
US-8110685-B2 Efficient, durable electron transport layers; low driving voltage; simple, low cost production CANON KABUSHIKI KAISHA (JP) 2012-02-07 — — US disclosed
US-20080154040-A1 AZAFLUORENE DERIVATIVE AND ORGANIC LIGHT-EMITTING DEVICE USING THE DERIVATIVE CANON KABUSHIKI KAISHA (JP) 2008-06-26 — — US disclosed
EP-0946477-B1 DERIVATIVES OF 9,9-DIFLUORO-9,10-DIHYDROPHENANTHRENE FOR LIQUID CRYSTAL MIXTURES AVENTIS RES & TECHNOLOGY GMBH (DE) 2002-07-31 — — EP disclosed
EP-0946473-B1 FLUORINATED PHENANTRENE DERIVATIVES FOR LIQUID CRYSTAL MIXTURES AVENTIS RES & TECHNOLOGY GMBH (DE) 2002-07-31 — — EP disclosed
US-6168838-B1 FOR FERROELECTRIC SWITCHING AND/OR DISPLAY DEVICE AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO. KG (DE) 2001-01-02 — — US disclosed
EP-0946477-A1 DERIVATIVES OF 9,9-DIFLUORO-9,10-DIHYDROPHENANTHRENE FOR LIQUID CRYSTAL MIXTURES Aventis Research & Technologies GmbH & Co. KG. (DE) 1999-10-06 — — EP disclosed
EP-0946473-A1 FLUORINATED PHENANTRENE DERIVATIVES FOR LIQUID CRYSTAL MIXTURES Aventis Research & Technologies GmbH & Co. KG. (DE) 1999-10-06 — — EP disclosed
WO-1998027035-A1 FLUORINATED PHENANTRENE DERIVATIVES FOR LIQUID CRYSTAL MIXTURES AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO KG (DE) 1998-06-25 — — WO disclosed
WO-1998027043-A1 DERIVATIVES OF 9,9-DIFLUORO-9,10-DIHYDROPHENANTHRENE FOR LIQUID CRYSTAL MIXTURES AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO. KG (DE) 1998-06-25 — — WO disclosed
US-5434264-A α,α-disubstituted aromatics and heteroaromatics as cognition enhancers THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-07-18 — — US disclosed
US-5300642-A α, α-disubstituted aromatics and heteroaromatics as cognition enhancers THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-04-05 — — US disclosed
EP-0311010-B1 Alpha,Alpha-disubstituted aromatics and heteroaromatics as cognition enhancers DU PONT MERCK PHARMA (US) 1994-02-02 — — EP disclosed
EP-0532054-A1 Process for preparing alpha,alpha-disubstituted aromatics and heteroaromatics as cognition enhancers THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1993-03-17 — — EP disclosed
US-5173489-A α,α-disubstituted aromatics and heteroaromatics as cognition enhancers THE DUPONT MERCK PHARMACEUTICAL CO. (US) 1992-12-22 — — US disclosed
EP-0311010-A2 Alpha,Alpha-disubstituted aromatics and heteroaromatics as cognition enhancers THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1989-04-12 — — 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-20080154040-A1 AZAFLUORENE DERIVATIVE AND ORGANIC LIGHT-EMITTING DEVICE USING THE DERIVATIVE AZI2, CYP1A2, CYP2C19 CES1 1825/4885MAPT 3499/4885KDM4E 852/4885

“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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