SCHEMBL103949

SCHEMBL103949

CC1C2=C(OC1(C)C)c1ccccc1C(=O)C2=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 13/20 0.53
NQO1 P15559 6/20 0.52
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
CES2 O00748 1/20 0.45
GMNN O75496 1/20 0.45
TDP2 O95551 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
GLA P06280 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
MAPT P10636 1/20 0.45
HSPD1 P10809 1/20 0.45
THRB P10828 1/20 0.45
CYP2C9 P11712 1/20 0.45
ALOX15 P16050 1/20 0.45
POR P16435 1/20 0.45

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
SCHEMBL20811248 0.82 IDO1 (0.59) IDO1NQO1KDM4EMEN1CES2
SCHEMBL18791100 0.82 IDO1 (0.55) IDO1NQO1KDM4EMEN1CES2
SCHEMBL18791133 0.80 IDO1 (0.63) IDO1NQO1KDM4EMEN1CES2
SCHEMBL20811039 0.76 NQO1 (0.76) IDO1NQO1KDM4EMEN1CES2
SCHEMBL10141773 0.75 ABCB1 (0.69) IDO1NQO1KDM4EMEN1CES2
SCHEMBL10142037 0.75 ABCB1 (0.69) IDO1NQO1KDM4EMEN1CES2
SCHEMBL18791099 0.75 NQO1 (0.46) IDO1NQO1KDM4EMEN1CES2
SCHEMBL20811355 0.74 NQO1 (0.76) IDO1NQO1MEN1MAPTRAB9A
SCHEMBL23457125 0.72 NQO1 (0.73) IDO1NQO1
SCHEMBL18791135 0.71 IDO1 (0.50) IDO1NQO1KDM4EMEN1CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-9066922-B2 Pharmaceutical composition for the treatment or prevention of diseases involving obesity, diabetes, metabolic syndrome, neuro-degenerative diseases and mitochondria dysfunction diseases MD BIOALPHA CO., LTD. (KR) 2015-06-30 US disclosed
US-9066922-B2 Pharmaceutical composition for the treatment or prevention of diseases involving obesity, diabetes, metabolic syndrome, neuro-degenerative diseases and mitochondria dysfunction diseases MD BIOALPHA CO., LTD. (KR) 2015-06-30 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-20130245111-A1 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OR PREVENTION OF DISEASES INVOLVING OBESITY, DIABETES, METABOLIC SYNDROME, NEURO-DEGENERATIVE DISEASES AND MITOCHONDRIA DYSFUNCTION DISEASES KT & G CO., LTD. (KR) 2013-09-19 US disclosed
WO-2009084834-A2 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT AND PREVENTION OF CARDIAC DISEASE MAZENCE INC. (KR) 2009-07-09 WO disclosed
WO-2009082124-A2 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT AND PREVENTION OF GLAUCOMA MAZENCE INC. (KR) 2009-07-02 WO disclosed
WO-2009048251-A2 PHARMACEUTICAL COMPOSITION CONTAINING MICRONIZED PARTICLES OF NAPHTHOQUINONE-BASED COMPOUND MAZENCE INC. (KR) 2009-04-16 WO disclosed
US-20080146655-A1 Pharmaceutical Composition for the Treatment or Prevention of Diseases Involving Obesity, Diabetes, Metabolic Syndrome, Neuro-Degenerative Diseases and Mitochondria Dyfunction Diseases MD BIOALPHA CO., LTD. (KR) 2008-06-19 US disclosed
US-20080146655-A1 Pharmaceutical Composition for the Treatment or Prevention of Diseases Involving Obesity, Diabetes, Metabolic Syndrome, Neuro-Degenerative Diseases and Mitochondria Dyfunction Diseases MD BIOALPHA CO., LTD. (KR) 2008-06-19 US disclosed
WO-2008066301-A1 ANTICANCER COMPOSITION CONTAINING NAPHTHOQUINONE-BASED COMPOUND FOR INTESTINE DELIVERY SYSTEM MAZENCE INC. (KR) 2008-06-05 WO disclosed
WO-2008066295-A1 PHARMACEUTICAL COMPOSITION CONTAINING NAPHTHOQUINONE-BASED COMPOUND FOR INTESTINE DELIVERY SYSTEM MAZENCE INC. (KR) 2008-06-05 WO disclosed
WO-2008066297-A1 PHARMACEUTICAL COMPOSITION FOR TREATMENT AND PREVENTION OF RESTENOSIS MAZENCE INC. (KR) 2008-06-05 WO disclosed
WO-2008066294-A1 PHARMACEUTICAL COMPOSITION CONTAINING MICRONIZED PARTICLE OF NAPHTHOQUINONE-BASED COMPOUND MAZENCE INC. (KR) 2008-06-05 WO disclosed
WO-2007094632-A1 METHOD FOR CONTROLLING NAD(P)/NAD(P)H RATIO BY OXIDOREDUCTASE MD BIOALPHA CO., LTD. (KR) 2007-08-23 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-20130302422-A1 PHARMACEUTICAL COMPOSITION FOR TREATMENT AND PREVENTION OF KIDNEY DISEASES REN, ATP6V1B1, SLC5A1 IDO1 1624/4885NQO1 892/4885KDM4E 4046/4885
US-20230255904-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER COMPRISING NAPHTHOQUINONE-BASED COMPOUND AND IMMUNE CHECKPOINT INHIBITOR AS ACTIVE INGREDIENTS PDCD1, CD274, PDCD10 IDO1 217/4885NQO1 17/4885KDM4E 3868/4885
US-20080146655-A1 Pharmaceutical Composition for the Treatment or Prevention of Diseases Involving Obesity, Diabetes, Metabolic Syndrome, Neuro-Degenerative Diseases and Mitochondria Dyfunction Diseases NDUFAB1, CS, NLN IDO1 1806/4885NQO1 260/4885KDM4E 4423/4885
US-20130245111-A1 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OR PREVENTION OF DISEASES INVOLVING OBESITY, DIABETES, METABOLIC SYNDROME, NEURO-DEGENERATIVE DISEASES AND MITOCHONDRIA DYSFUNCTION DISEASES NLN, SLC25A20, ACAD9 IDO1 3300/4885NQO1 250/4885KDM4E 4279/4885
US-20140154319-A1 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT AND PREVENTION OF CARDIAC DISEASE TNNT2, TNNC1, TNNI3 IDO1 2331/4885NQO1 773/4885KDM4E 4687/4885

“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.