Dioxane

Dioxane

SCHEMBL2949971

C1COCCO1.COCCOC

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.43
TDP1 Q9NUW8 1/20 0.35
KDM1A O60341 1/20 0.32
TSHR P16473 1/20 0.31
LMNA P02545 1/20 0.30
POLB P06746 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL4625372 1.00 TTR (0.43) TTRTDP1KDM1ATSHRLMNA
Dioxane SCHEMBL10324821 0.91 CA2 (0.35) TTRTDP1
Dioxane SCHEMBL8149387 0.91 CA2 (0.35) TTRTDP1
Dioxane SCHEMBL3104036 0.91 CA2 (0.35) TTRTDP1
SCHEMBL3743823 0.87
Tetrahydrofuran SCHEMBL2361115 0.87 ALDH1A1 (0.50) TDP1KDM1A
Dioxane SCHEMBL299082 0.86 TDP1 (0.34) TTRTDP1TSHRLMNAGAA
SCHEMBL7703561 0.84 ALDH1A1 (0.47) TDP1
SCHEMBL6814772 0.84 ALDH1A1 (0.47) TDP1
Tetrahydrofuran SCHEMBL5235661 0.84 ALDH1A1 (0.47) TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101778852-A Bisamine zinc base UNIV MUENCHEN L MAXIMILIANS 2010-07-14 CN claimed
US-6403776-B1 TREATING ANTIBIOTIC COMPOUND WITH NUCLEOPHILE TO CLEAVE PROTECTING GROUP FROM HYDROXYL GROUP PFIZER INC. 2002-06-11 US claimed
US-20020016512-A1 Heterogeneously catalyzed process for cross coupling aryl chlorides with aryl boronic acids SUN YONGKUI (US) 2002-02-07 US claimed
US-6290926-B1 CATALYSIS OF CARBON MONOXIDE CONVERSION VIA THE WATER-GAS SHIFT REACTION STUDIENGESELLSCHAFT KOHLE MBH (DE) 2001-09-18 US claimed
US-4900477-A Novel intermediates and an improved process for producing the compound (3β,5α)-3-hydroxycholest-8(14)-en-15-one AMERICAN CYANAMID COMPANY (US) 1990-02-13 US claimed
EP-4263539-A1 6-6 OR 5-6 FUSED BICYCLIC COMPOUNDS COMPRISING A PYRI(MI)DINE RING USEFUL IN THE TREATMENT OF INFECTIOUS DISEASES INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE - INSERM (FR) 2023-10-25 EP disclosed
US-11518756-B2 Arylation method UMICORE AG & CO. KG (DE) 2022-12-06 US disclosed
WO-2022129376-A1 6-6 OR 5-6 FUSED BICYCLIC COMPOUNDS COMPRISING A PYRI(MI)DINE RING USEFUL IN THE|TREATMENT OF INFECTIOUS DISEASES INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2022-06-23 WO disclosed
CN-114430680-A Novel anticancer drug FL118 formulation and combination immunotherapy thereof for treating human cancers 坎格特生物技术制药有限责任公司 2022-05-03 CN disclosed
US-20200031803-A1 ARYLATION METHOD UMICORE AG & CO. KG (DE) 2020-01-30 US disclosed
US-10476073-B2 Production process for carbon-coated silicon material KABUSHIKI KAISHA TOYOTA JIDOSHOKKI (JP) 2019-11-12 US disclosed
CN-109219518-A Multilayer film 株式会社可乐丽 2019-01-15 CN disclosed
EP-0015079-B1 HALOGENATING COMPOUNDS AND A PROCESS FOR THEIR PRODUCTION ELI LILLY AND COMPANY (US) 1987-09-09 EP disclosed
US-4321413-A IN THE PRESENSE OF ANIONIC EXCHANGE RESIN CATALYSTS TEXACO INC. (US) 1982-03-23 US disclosed
EP-0015079-A1 Halogenating compounds and a process for their production ELI LILLY AND COMPANY (US) 1980-09-03 EP disclosed
US-4156723-A HYPOTENSIVE E. R. SQUIBB & SONS, INC. (US) 1979-05-29 US disclosed
US-4144249-A 2,2,6,6-TETRAMETHYL-BENZOBISDIOXOLE, USEFUL IN PERFUMES S.A. TEXACO BELGIUM N.V. (BE) 1979-03-13 US disclosed
EP-0000800-A1 Selective N-protection of aminoglycosides and novel, selectively protected aminoglycoside intermediates Technobiotic Ltd. (CH) 1979-02-21 EP disclosed
US-4123437-A REACTING A HYDRAZINE WITH AN ALKOXYCARBONYL ISOTHIOCYANATE, CYCLIZATION CIBA-GEIGY CORPORATION (US) 1978-10-31 US disclosed
US-4092331-A FROM A POLYHYDRIC PHENOL CONTAINING TWO PAIR ORTHO HYDROXY GROUPS AND A KETONE OR ACETAL, LEWIS ACID CATALYST S.A. TEXACO BELGIUM N.V. (BE) 1978-05-30 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-20020016512-A1 Heterogeneously catalyzed process for cross coupling aryl chlorides with aryl boronic acids MAP2K6, AHR, MAP2K2 TTR 4301/4885TDP1 3913/4885KDM1A 2042/4885
US-11518756-B2 Arylation method AHR, ARNT, CYP2B6 TTR 1380/4885TDP1 3735/4885KDM1A 1804/4885
US-20200031803-A1 ARYLATION METHOD AHR, ARNT, CYP2B6 TTR 1380/4885TDP1 3735/4885KDM1A 1804/4885

“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.