SCHEMBL3414850

SCHEMBL3414850

COc1cccc2c1C(=O)C=CC2=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 3/20 1.00
ALDH1A1 P00352 5/20 0.59
MAPT P10636 5/20 0.59
APAF1 O14727 1/20 0.59
MITF O75030 1/20 0.59
LMNA P02545 1/20 0.59
HTT P42858 1/20 0.59
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA7 P43166 1/20 0.56
CA9 Q16790 1/20 0.56
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
IDO1 P14902 3/20 0.52
KDM4E B2RXH2 2/20 0.52
USP2 O75604 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
CDC25B P30305 2/20 0.52
PIN1 Q13526 2/20 0.52
THRB P10828 2/20 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
SCHEMBL30003440 1.00 TOP1 (1.00) TOP1ALDH1A1MAPTAPAF1MITF
SCHEMBL29018326 0.80 TOP1 (0.67) TOP1ALDH1A1MAPTAPAF1MITF
SCHEMBL24194098 0.79 TOP1 (0.66) TOP1ALDH1A1MAPTAPAF1LMNA
SCHEMBL30574283 0.79 TOP1 (0.66) TOP1ALDH1A1MAPTAPAF1LMNA
SCHEMBL29442957 0.78 TOP1 (0.63) TOP1ALDH1A1MAPTAPAF1MITF
SCHEMBL358094 0.78 TOP1 (0.63) TOP1ALDH1A1MAPTAPAF1MITF
SCHEMBL1287104 0.78 TOP1 (0.65) TOP1ALDH1A1MAPTLMNAHTT
SCHEMBL24194431 0.78 TOP1 (0.64) TOP1ALDH1A1MAPTAPAF1MITF
SCHEMBL3417492 0.77 EGFR (0.76) TOP1ALDH1A1MAPTAPAF1MITF
SCHEMBL28575370 0.77 MEN1 (0.72) TOP1ALDH1A1MAPTAPAF1MITF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113368087-A Juglone derivatives and application thereof in preparation of drugs for treating brain tumors through chemotherapy 复旦大学附属华山医院 2021-09-10 CN claimed
EP-0876356-A1 USE OF TRICYCLIC 1,4-DIHYDRO-1,4-DIOXO-1H-NAPHTHALENE DERIVATIVES, RESULTING NOVEL COMPOUNDS AND THERAPEUTICAL USE THEREOF LABORATOIRE INNOTHERA Société Anonyme (FR) 1998-11-11 EP claimed
WO-1997021684-A1 USE OF TRICYCLIC 1,4-DIHYDRO-1,4-DIOXO-1H-NAPHTHALENE DERIVATIVES, RESULTING NOVEL COMPOUNDS AND THERAPEUTICAL USE THEREOF LABORATOIRE INNOTHERA, SOCIETE ANONYME (FR) 1997-06-19 WO claimed
CN-109553756-B Method for producing phosphorus-containing epoxy resin 日铁化学材料株式会社 2023-09-29 CN disclosed
US-11613509-B2 Radical polymerization control agent and radical polymerization control method KAWASAKI KASEI CHEMICALS LTD. (JP) 2023-03-28 US disclosed
CN-110891980-B Radical polymerization control agent and radical polymerization control method 川崎化成工业株式会社 2022-09-30 CN disclosed
WO-2022050774-A1 NOVEL IMIDAZOLE DERIVATIVE SALT HAVING ANTIFUNGAL ACTIVITY, AND USE THEREOF 경희대학교 산학협력단 2022-03-10 WO disclosed
CN-113368087-A Juglone derivatives and application thereof in preparation of drugs for treating brain tumors through chemotherapy 复旦大学附属华山医院 2021-09-10 CN disclosed
US-20210122692-A1 RADICAL POLYMERIZATION CONTROL AGENT AND RADICAL POLYMERIZATION CONTROL METHOD KAWASAKI KASEI CHEMICALS LTD. (JP) 2021-04-29 US disclosed
US-10927085-B2 1,2-naphthoquinone based derivative and method of preparing the same HUEN CO., LTD. (KR) 2021-02-23 US disclosed
US-10927085-B2 1,2-naphthoquinone based derivative and method of preparing the same HUEN CO., LTD. (KR) 2021-02-23 US disclosed
WO-2008008033-A1 THE USE OF NAPHTOQUINONES IN THE TREATMENT AND CONTROL OF DIABETES, INSULIN RESISTANCE AND HYPERGLYCEMIA GLUCOX BIOTECH AB (SE) 2008-01-17 WO disclosed
EP-0876356-B1 USE OF TRICYCLIC 1,4-DIHYDRO-1,4-DIOXO-1H-NAPHTHALENE DERIVATIVES, RESULTING NOVEL COMPOUNDS AND THERAPEUTICAL USE THEREOF INNOTHERA SA LAB (FR) 2001-10-31 EP disclosed
US-6262095-B1 TREATMENT OF ILLNESS ASSOCIATED WITH AN ALTERATION IN VENOUS FUNCTION AND/OR INFLAMMATORY EDEMA LABORATOIRE INNOTHERA (FR) 2001-07-17 US disclosed
EP-0876356-A1 USE OF TRICYCLIC 1,4-DIHYDRO-1,4-DIOXO-1H-NAPHTHALENE DERIVATIVES, RESULTING NOVEL COMPOUNDS AND THERAPEUTICAL USE THEREOF LABORATOIRE INNOTHERA Société Anonyme (FR) 1998-11-11 EP disclosed
WO-1997021684-A1 USE OF TRICYCLIC 1,4-DIHYDRO-1,4-DIOXO-1H-NAPHTHALENE DERIVATIVES, RESULTING NOVEL COMPOUNDS AND THERAPEUTICAL USE THEREOF LABORATOIRE INNOTHERA, SOCIETE ANONYME (FR) 1997-06-19 WO disclosed
EP-0161102-B1 ISOQUINOLINE DERIVATIVES GLAXO GROUP LIMITED (GB) 1990-02-21 EP disclosed
US-4835158-A Isoquinoline derivatives GLAXO GROUP LIMITED (GB) 1989-05-30 US disclosed
EP-0161102-A2 Isoquinoline derivatives GLAXO GROUP LIMITED (GB) 1985-11-13 EP disclosed
US-4419439-A ALKOXYNAPHTHOL DEVELOPER FUJI PHOTO FILM CO., LTD. (JP) 1983-12-06 US 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 (3 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-11613509-B2 Radical polymerization control agent and radical polymerization control method PPOX, NOX4, CROCC TOP1 4499/4885ALDH1A1 1023/4885MAPT 188/4885
US-20210122692-A1 RADICAL POLYMERIZATION CONTROL AGENT AND RADICAL POLYMERIZATION CONTROL METHOD PPOX, NOX4, CROCC TOP1 4499/4885ALDH1A1 1023/4885MAPT 188/4885
US-10927085-B2 1,2-naphthoquinone based derivative and method of preparing the same UGT1A6, CYP2D6, SLC5A1 TOP1 353/4885ALDH1A1 521/4885MAPT 182/4885

“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.