SCHEMBL3337802

SCHEMBL3337802

CC1OC2=C(C(=O)C(=O)c3c2ccc2ccc(C(C)(C)C)cc32)C1(C)C

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 3/20 0.48
POR P16435 3/20 0.48
ELANE P08246 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PLA2G1B P04054 1/20 0.34
NFKB1 P19838 1/20 0.34
CASP3 P42574 1/20 0.34
RAB9A P51151 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ATG4B Q9Y4P1 1/20 0.34
NR1I2 O75469 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
SCHEMBL8192096 0.90 NQO1 (0.43) NQO1PORELANENPC1ALDH1A1
SCHEMBL3331249 0.82 NQO1 (0.50) NQO1PORELANENPC1ALDH1A1
SCHEMBL3333295 0.76 STAT3 (0.42) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL3329489 0.72 NQO1 (0.50) NQO1PORELANEALDH1A1L3MBTL1
SCHEMBL8029684 0.69 STAT3 (0.38) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL6052838 0.69 NQO1 (0.57) NQO1PORELANEALDH1A1
SCHEMBL5940500 0.68 NQO1 (0.48) NQO1PORALDH1A1L3MBTL1
SCHEMBL6052899 0.67 NQO1 (0.67) NQO1PORELANEALDH1A1
(3R)-Dunnione SCHEMBL103115 0.67 NQO1 (0.63) NQO1PORELANENPC1ALDH1A1
SCHEMBL14439377 0.65 NQO1 (1.00) NQO1PORALDH1A1

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 30 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
EP-4180034-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER COMPRISING NAPHTHOQUINONE-BASED COMPOUND AND IMMUNE CHECKPOINT INHIBITOR AS ACTIVE INGREDIENTS NADIANBIO Ltd. (KR) 2023-05-17 EP 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-20100239674-A1 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT AND PREVENTION OF DISEASES INVOLVING IMPOTENCE KT & G CO., LTD. (KR) 2010-09-23 US disclosed
US-20100239685-A1 COMPOUND FOR TREATMENT OR PREVENTION OF PROSTATE-RELATED DISEASES AND PHARMACEUTICAL COMPOSITION OF COLON DELIVERY SYSTEM CONTAINING THE SAME KT & G CO., LTD. (KR) 2010-09-23 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-2009048251-A2 PHARMACEUTICAL COMPOSITION CONTAINING MICRONIZED PARTICLES OF NAPHTHOQUINONE-BASED COMPOUND MAZENCE INC. (KR) 2009-04-16 WO disclosed
WO-2008066301-A1 ANTICANCER COMPOSITION CONTAINING NAPHTHOQUINONE-BASED COMPOUND FOR INTESTINE DELIVERY SYSTEM 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 (9 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-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
US-20100239685-A1 COMPOUND FOR TREATMENT OR PREVENTION OF PROSTATE-RELATED DISEASES AND PHARMACEUTICAL COMPOSITION OF COLON DELIVERY SYSTEM CONTAINING THE SAME KLK3, NR5A1, MAN2B2 NQO1 70/4885POR 1662/4885ELANE 3067/4885
US-20100239674-A1 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT AND PREVENTION OF DISEASES INVOLVING IMPOTENCE PDE3A, PDE3B, PDE2A NQO1 406/4885POR 667/4885ELANE 446/4885

“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.