SCHEMBL2091097

SCHEMBL2091097

[CH2]COc1ccc(OC)c(OC)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.61
CA12 O43570 1/20 0.61
CA1 P00915 1/20 0.61
CA7 P43166 1/20 0.61
CA9 Q16790 1/20 0.61
CA14 Q9ULX7 1/20 0.61
ACHE P22303 1/20 0.45
ALDH1A1 P00352 3/20 0.44
TUBB4A P04350 2/20 0.44
TUBB P07437 2/20 0.44
TUBA3C P0DPH7 2/20 0.44
TUBA1B P68363 2/20 0.44
TUBA4A P68366 2/20 0.44
TUBB4B P68371 2/20 0.44
TUBB3 Q13509 2/20 0.44
TUBB2A Q13885 2/20 0.44
TUBB8 Q3ZCM7 2/20 0.44
TUBA3E Q6PEY2 2/20 0.44
TUBA1A Q71U36 2/20 0.44
TUBA1C Q9BQE3 2/20 0.44

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
SCHEMBL3160434 0.86 CA12 (0.65) CA2CA12CA1CA7CA9
SCHEMBL3165577 0.86 CA12 (0.65) CA2CA12CA1CA7CA9
SCHEMBL7470873 0.82 MAOB (0.52) ACHEALDH1A1TUBB4ATUBBTUBA3C
SCHEMBL10913701 0.82 MAPT (0.44) CA2CA12CA1CA7CA9
SCHEMBL28900582 0.81 CA2 (0.53) CA2CA12CA1CA7CA9
SCHEMBL9715643 0.81 CA2 (0.64) CA2CA12CA1CA7CA9
SCHEMBL12100424 0.79 CA2 (0.61) CA2CA12CA1CA7CA9
SCHEMBL13978302 0.79 CA2 (0.61) CA2CA12CA1CA7CA9
SCHEMBL28203223 0.79 CA2 (0.61) CA2CA12CA1CA7CA9
SCHEMBL24436737 0.79 ALDH1A1 (0.58) CA2CA12CA1CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0131509-A2 Photographic element containing a polymeric mordant comprising quaternized vinylimidazole and acrylonitrile recurring units EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1985-01-16 EP claimed
US-4450224-A CATIONIC IMIDAZOLE-CONTAINING VINYL POLYMERS FOR SILVER HALIDE COLOR FILMS EASTMAN KODAK COMPANY (US) 1984-05-22 US claimed
US-9914732-B2 Diazabicyclo[4.3.1]decane derivatives for treatment of psychiatric disorders MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSC HAFTEN E.V. (DE) 2018-03-13 US disclosed
EP-3097103-B1 DIAZABICYCLO[4.3.1]DECANE DERIVATIVES FOR TREATMENT OF PSYCHIATRIC DISORDERS MAX-PLANCK-GESELLSCHAFT ZUR FÖRDERUNG DER WSS (DE) 2017-11-15 EP disclosed
US-20170002003-A1 DIAZABICYCLO[4.3.1]DECANE DERIVATIVES FOR TREATMENT OF PSYCHIATRIC DISORDERS MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSC HAFTEN E.V. (DE) 2017-01-05 US disclosed
EP-3097103-A1 DIAZABICYCLO[4.3.1]DECANE DERIVATIVES FOR TREATMENT OF PSYCHIATRIC DISORDERS Max-Planck-Gesellschaft zur Förderung der Wissenschaften (DE) 2016-11-30 EP disclosed
WO-2015110271-A1 DIAZABICYCLO[4.3.1]DECANE DERIVATIVES FOR TREATMENT OF PSYCHIATRIC DISORDERS MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2015-07-30 WO disclosed
CN-101277931-B Synthetic method for preparing aminocyclohexyl ether compound CARDIOME PHARMA CORP 2013-04-24 CN disclosed
US-8163753-B2 2-(4-(4-(4-chlorophenyl)oxazol-2-yl)phenoxymethyl)-2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b]oxazole; bactericide; excellent bactericidal action against Mycobacterium tuberculosis, multi-drug-resistant Mycobacterium tuberculosis, and atypical acid-fast bacteria OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-04-24 US disclosed
US-20100081693-A1 THIADIAZOLE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-04-01 US disclosed
EP-2061789-A2 THIADIAZOLE COMPOUND AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2009-05-27 EP disclosed
WO-1994019339-A1 PIPERAZINOCARBONYLCARBOSTYRILS AS PERIPHERAL VASODILATORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-09-01 WO disclosed
US-4943514-A POLYMERIC MORDANT FROM QUATERNIZED VINYLIMIDAZOLE EASTMAN KODAK COMPANY (US) 1990-07-24 US disclosed
US-4942103-A POLYVINYL ALCOHOL BINDERS, RADIATION SENSITIVE DICHROMATES, A POLYMERIC MORDANT OF QUATERNIZED N-VINYLIMIDAZOLES EASTMAN KODAK COMPANY (US) 1990-07-17 US disclosed
EP-0131509-A2 Photographic element containing a polymeric mordant comprising quaternized vinylimidazole and acrylonitrile recurring units EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1985-01-16 EP disclosed
US-4450224-A CATIONIC IMIDAZOLE-CONTAINING VINYL POLYMERS FOR SILVER HALIDE COLOR FILMS EASTMAN KODAK COMPANY (US) 1984-05-22 US disclosed
US-4302588-A 5-(3-SUBSTITUTED AMINO)-2-HYDROXY-PROPYLOXY)-8-HYDROXY OR ALKOXY-CARBOSTYRILS, ADRENERGIC BLOCKING AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1981-11-24 US disclosed
US-4289883-A ADRENERGIC BLOCKING AGENTS OF EXCELLENT CARDIOSELECTIVITY OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1981-09-15 US disclosed
US-4210753-A TREATMENT OF CARDIAC DISORDERS AND CHRONIC LUNG DISEASE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1980-07-01 US disclosed
US-4147869-A ADRENERGIC BLOCKING AGENTS FOR TREATMENT OF ANGINA PECTORIS, ARRHYTHMIA AND HYPERTENSION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1979-04-03 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 (2 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-20170002003-A1 DIAZABICYCLO[4.3.1]DECANE DERIVATIVES FOR TREATMENT OF PSYCHIATRIC DISORDERS SNCA, DDT, DRD1 CA2 4834/4885CA12 4374/4885CA1 3658/4885
US-20100081693-A1 THIADIAZOLE COMPOUND AND USE THEREOF NR2C2, NR4A3, NR0B2 CA2 3688/4885CA12 4570/4885CA1 4105/4885

“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.