SCHEMBL5940407

SCHEMBL5940407

CC1(C)CCCC2(C)OC3=C(CC12)C(=O)C(=O)c1ccccc13

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 8/20 0.52
IDO1 P14902 7/20 0.52
ALDH1A1 P00352 2/20 0.52
CYP3A4 P08684 2/20 0.52
CYP2C9 P11712 2/20 0.52
CYP2C19 P33261 2/20 0.52
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
CES2 O00748 1/20 0.52
GMNN O75496 1/20 0.52
TDP2 O95551 1/20 0.52
LMNA P02545 1/20 0.52
TP53 P04637 1/20 0.52
CYP1A2 P05177 1/20 0.52
GLA P06280 1/20 0.52
CYP2D6 P10635 1/20 0.52
MAPT P10636 1/20 0.52
HSPD1 P10809 1/20 0.52
THRB P10828 1/20 0.52
NQO1 P15559 1/20 0.52

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
SCHEMBL18791102 0.72 IDO1 (0.56) MALT1IDO1ALDH1A1CYP3A4CYP2C9
SCHEMBL10141791 0.71 IDO1 (0.55) MALT1IDO1ALDH1A1CYP3A4CYP2C9
Tetrahydroactinidiolide SCHEMBL10742823 0.69 TSHR (0.71) ALDH1A1CYP3A4CYP2C9CYP2C19MAPT
Tetrahydroactinidiolide SCHEMBL10741416 0.69 TSHR (0.71) ALDH1A1CYP3A4CYP2C9CYP2C19MAPT
Tetrahydroactinidiolide SCHEMBL19471964 0.69 TSHR (0.71) ALDH1A1CYP3A4CYP2C9CYP2C19MAPT
Tetrahydroactinidiolide SCHEMBL10737319 0.69 TSHR (0.71) ALDH1A1CYP3A4CYP2C9CYP2C19MAPT
Lapachone SCHEMBL107042 0.69 MALT1 (1.00) MALT1IDO1ALDH1A1CYP3A4CYP2C9
Lapachone SCHEMBL29351050 0.69 MALT1 (1.00) MALT1IDO1ALDH1A1CYP3A4CYP2C9
Nor-Beta-Lapachone SCHEMBL107599 0.68 MALT1 (0.71) MALT1IDO1ALDH1A1CYP3A4CYP2C9
SCHEMBL15109478 0.66 IDO1 (0.59) MALT1IDO1ALDH1A1CYP3A4CYP2C9

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 48 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-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-2008066295-A1 PHARMACEUTICAL COMPOSITION CONTAINING NAPHTHOQUINONE-BASED COMPOUND FOR INTESTINE DELIVERY SYSTEM MAZENCE INC. (KR) 2008-06-05 WO disclosed
WO-2008066301-A1 ANTICANCER COMPOSITION CONTAINING NAPHTHOQUINONE-BASED COMPOUND FOR INTESTINE DELIVERY SYSTEM 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-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
WO-2008066297-A1 PHARMACEUTICAL COMPOSITION FOR TREATMENT AND PREVENTION OF RESTENOSIS MAZENCE INC. (KR) 2008-06-05 WO disclosed
WO-2008066299-A1 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT AND PREVENTION OF DISEASES INVOLVING IMPOTENCE MAZENCE INC. (KR) 2008-06-05 WO disclosed
WO-2006088315-A1 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) 2006-08-24 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 MALT1 3646/4885IDO1 1624/4885ALDH1A1 1237/4885
US-20230255904-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER COMPRISING NAPHTHOQUINONE-BASED COMPOUND AND IMMUNE CHECKPOINT INHIBITOR AS ACTIVE INGREDIENTS PDCD1, CD274, PDCD10 MALT1 3696/4885IDO1 217/4885ALDH1A1 2536/4885
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 MALT1 4688/4885IDO1 1806/4885ALDH1A1 739/4885
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 MALT1 4454/4885IDO1 3300/4885ALDH1A1 841/4885
US-20140154319-A1 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT AND PREVENTION OF CARDIAC DISEASE TNNT2, TNNC1, TNNI3 MALT1 3298/4885IDO1 2331/4885ALDH1A1 842/4885

“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.