SCHEMBL3329489

SCHEMBL3329489

Cc1cc2c(c3ccccc13)C(=O)C(=O)C1=C2OC(C)C1(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 3/20 0.50
POR P16435 3/20 0.50
ELANE P08246 1/20 0.40
TDP1 Q9NUW8 3/20 0.38
MAPT P10636 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CES2 O00748 2/20 0.38
KDM1A O60341 2/20 0.38
CES1 P23141 2/20 0.38
PTPN6 P29350 2/20 0.38
PTPN11 Q06124 2/20 0.38
HIF1A Q16665 2/20 0.38
EPAS1 Q99814 2/20 0.38
BLM P54132 2/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPK1 P28482 2/20 0.38
ACHE P22303 1/20 0.38
ELAVL1 Q15717 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL8182473 0.89 NQO1 (0.42) NQO1PORELANETDP1MAPT
SCHEMBL3331249 0.82 NQO1 (0.50) NQO1PORELANETDP1MAPT
(3R)-Dunnione SCHEMBL29468606 0.77 NQO1 (0.63) NQO1PORELANETDP1MAPT
(3R)-Dunnione SCHEMBL103115 0.77 NQO1 (0.63) NQO1PORELANETDP1MAPT
SCHEMBL6052838 0.73 NQO1 (0.57) NQO1PORELANETDP1MAPT
SCHEMBL3330784 0.73 STAT3 (0.43) TDP1MAPTMEN1KMT2ACES2
Alpha-Dunnione SCHEMBL940069 0.72 NQO1 (0.56) NQO1PORELANETDP1MAPT
(3R)-Dunnione SCHEMBL6052903 0.71 NQO1 (0.56) NQO1PORELANETDP1MAPT
SCHEMBL5940500 0.69 NQO1 (0.48) NQO1PORTDP1MAPTMEN1
SCHEMBL6052899 0.69 NQO1 (0.67) NQO1PORELANEMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8404869-B2 Phenanthrenequinone-based compound and pharmaceutical composition containing the same for the treatment or prevention of disease involving metabolic syndrome MAZENCE INC. (KR) 2013-03-26 US claimed
US-20100137422-A1 NOVEL PHENANTHRENEQUINONE-BASED COMPOUND AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME FOR THE TREATMENT OR PREVENTION OF DISEASE INVOLVING METABOLIC SYNDROME YUNGJIN PHARM. CO., LTD. (KR) 2010-06-03 US claimed
US-20230255904-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER COMPRISING NAPHTHOQUINONE-BASED COMPOUND AND IMMUNE CHECKPOINT INHIBITOR AS ACTIVE INGREDIENTS NADIANBIO LTD. (KR) 2023-08-17 US disclosed
US-20230255904-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER COMPRISING NAPHTHOQUINONE-BASED COMPOUND AND IMMUNE CHECKPOINT INHIBITOR AS ACTIVE INGREDIENTS NADIANBIO LTD. (KR) 2023-08-17 US disclosed
US-20140154319-A1 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT AND PREVENTION OF CARDIAC DISEASE KWAK TAEHWAN (KR) 2014-06-05 US disclosed
US-20140154319-A1 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT AND PREVENTION OF CARDIAC DISEASE KWAK TAEHWAN (KR) 2014-06-05 US disclosed
US-20130302422-A1 PHARMACEUTICAL COMPOSITION FOR TREATMENT AND PREVENTION OF KIDNEY DISEASES KT & G CORPORATION (KR) 2013-11-14 US disclosed
US-20130302422-A1 PHARMACEUTICAL COMPOSITION FOR TREATMENT AND PREVENTION OF KIDNEY DISEASES KT & G CORPORATION (KR) 2013-11-14 US disclosed
US-20120289577-A1 COMPOSITION FOR TREATING OR PREVENTING HEARING LOSS COMPRISING NAPHTHOQUINONE-BASED COMPOUNDS KT&G LIFE SCIENCES CORPORATION (KR) 2012-11-15 US disclosed
US-20120289577-A1 COMPOSITION FOR TREATING OR PREVENTING HEARING LOSS COMPRISING NAPHTHOQUINONE-BASED COMPOUNDS KT&G LIFE SCIENCES CORPORATION (KR) 2012-11-15 US disclosed
US-20120114714-A1 METHOD FOR THE TREATMENT AND PREVENTION OF ERECTILE DYSFUNCTION KWAK TAEHWAN (KR) 2012-05-10 US disclosed
US-20100234453-A1 PHARMACEUTICAL COMPOSITION CONTAINING PHENANTHRENEQUINONE-BASED COMPOUND FOR INTESTINE DELIVERY SYSTEM KT & G CO., LTD. (KR) 2010-09-16 US disclosed
US-20100234453-A1 PHARMACEUTICAL COMPOSITION CONTAINING PHENANTHRENEQUINONE-BASED COMPOUND FOR INTESTINE DELIVERY SYSTEM KT & G CO., LTD. (KR) 2010-09-16 US disclosed
US-20100209513-A1 PHARMACEUTICAL COMPOSITION CONTAINING MICRONIZED PARTICLES OF NAPHTHOQUINONE-BASED COMPOUND KT&G CO., LTD. (KR) 2010-08-19 US disclosed
US-20100209513-A1 PHARMACEUTICAL COMPOSITION CONTAINING MICRONIZED PARTICLES OF NAPHTHOQUINONE-BASED COMPOUND KT&G CO., LTD. (KR) 2010-08-19 US disclosed
WO-2009084834-A2 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT AND PREVENTION OF CARDIAC DISEASE MAZENCE INC. (KR) 2009-07-09 WO disclosed
WO-2009084835-A2 PHARMACEUTICAL COMPOSITION FOR TREATMENT AND PREVENTION OF KIDNEY DISEASES MAZENCE INC. (KR) 2009-07-09 WO disclosed
WO-2009048251-A2 PHARMACEUTICAL COMPOSITION CONTAINING MICRONIZED PARTICLES OF NAPHTHOQUINONE-BASED COMPOUND MAZENCE INC. (KR) 2009-04-16 WO disclosed
WO-2008066294-A1 PHARMACEUTICAL COMPOSITION CONTAINING MICRONIZED PARTICLE OF NAPHTHOQUINONE-BASED COMPOUND MAZENCE INC. (KR) 2008-06-05 WO disclosed
WO-2008066298-A1 COMPOUND FOR TREATMENT OR PREVENTION OF PROSTATE-RELATED DISEASES AND PHARMACEUTICAL COMPOSITION OF COLON DELIVERY SYSTEM CONTAINING THE SAME MAZENCE INC. (KR) 2008-06-05 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 (8 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-20130302422-A1 PHARMACEUTICAL COMPOSITION FOR TREATMENT AND PREVENTION OF KIDNEY DISEASES REN, ATP6V1B1, SLC5A1 NQO1 892/4885POR 1162/4885ELANE 687/4885
US-20120114714-A1 METHOD FOR THE TREATMENT AND PREVENTION OF ERECTILE DYSFUNCTION PDE3A, PDE3B, PDE2A NQO1 377/4885POR 413/4885ELANE 358/4885
US-20120289577-A1 COMPOSITION FOR TREATING OR PREVENTING HEARING LOSS COMPRISING NAPHTHOQUINONE-BASED COMPOUNDS NQO1, MT-ND6, MT-ND5 NQO1 1/4885POR 2730/4885ELANE 2370/4885
US-20230255904-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER COMPRISING NAPHTHOQUINONE-BASED COMPOUND AND IMMUNE CHECKPOINT INHIBITOR AS ACTIVE INGREDIENTS PDCD1, CD274, PDCD10 NQO1 17/4885POR 3903/4885ELANE 3032/4885
US-20100234453-A1 PHARMACEUTICAL COMPOSITION CONTAINING PHENANTHRENEQUINONE-BASED COMPOUND FOR INTESTINE DELIVERY SYSTEM SLC10A2, SI, ABCB11 NQO1 224/4885POR 225/4885ELANE 3002/4885
US-20140154319-A1 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT AND PREVENTION OF CARDIAC DISEASE TNNT2, TNNC1, TNNI3 NQO1 773/4885POR 1472/4885ELANE 1606/4885
US-20100209513-A1 PHARMACEUTICAL COMPOSITION CONTAINING MICRONIZED PARTICLES OF NAPHTHOQUINONE-BASED COMPOUND NDUFB10, NDUFB7, SQLE NQO1 38/4885POR 583/4885ELANE 1972/4885
US-20100137422-A1 NOVEL PHENANTHRENEQUINONE-BASED COMPOUND AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME FOR THE TREATMENT OR PREVENTION OF DISEASE INVOLVING METABOLIC SYNDROME CYP27A1, CYP46A1, PCSK9 NQO1 121/4885POR 657/4885ELANE 2839/4885

“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.