SCHEMBL330200

SCHEMBL330200

[O]CC1CCCCCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.42
ADH1C P00326 1/20 0.42
ADH1A P07327 1/20 0.42
ADH4 P08319 1/20 0.42
ADH7 P40394 1/20 0.42
CHRM5 P08912 2/20 0.39
CYP1A2 P05177 1/20 0.39
ADRA2C P18825 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM1 P11229 1/20 0.39
EPHX1 P07099 3/20 0.37
HPGD P15428 2/20 0.37
KMT2A Q03164 1/20 0.37
ALOX5 P09917 1/20 0.37
SIGMAR1 Q99720 1/20 0.36
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
MMP1 P03956 1/20 0.34

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
SCHEMBL20902 1.00
SCHEMBL11793313 1.00 ADH1B (0.42) ADH1BADH1CADH1AADH4ADH7
SCHEMBL7980855 1.00 ADH1B (0.42) ADH1BADH1CADH1AADH4ADH7
SCHEMBL20594191 1.00 ADH1B (0.42) ADH1BADH1CADH1AADH4ADH7
SCHEMBL11791711 1.00 ADH1B (0.42) ADH1BADH1CADH1AADH4ADH7
SCHEMBL330189 1.00
SCHEMBL20998 0.96
SCHEMBL22101 0.89
SCHEMBL8765 0.81
SCHEMBL3156756 0.78 CHRM5 (0.64) CHRM5ADRA2CCHRM2CHRM4CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104281006-B Radiation-ray sensitive composition 三菱瓦斯化学株式会社 2019-01-22 CN claimed
CN-108008600-A Radiation-ray sensitive composition 三菱瓦斯化学株式会社 2018-05-08 CN claimed
US-8461135-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2013-06-11 US claimed
US-8039450-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2011-10-18 US claimed
US-20240025883-A1 PYRIMIDIN-2-YL SULFONAMIDE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2024-01-25 US disclosed
EP-4298092-A1 NOVEL PYRIMIDIN-2-YL SULFONAMIDE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2024-01-03 EP disclosed
CN-116829550-A Pyrimidine-2-ylsulfonamide derivatives 豪夫迈·罗氏有限公司 2023-09-29 CN disclosed
EP-4219477-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2023-08-02 EP disclosed
EP-3590940-B1 HEXAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AND RELATED COMPOUNDS AS AUTOTAXIN (ATX) INHIBITORS AND AS INHIBITORS OF THE LYSOPHOSPHATIDIC ACID (LPA) PRODUCTION FOR TREATING E.G. RENAL DISEASES HOFFMANN LA ROCHE (CH) 2021-06-09 EP disclosed
US-10913745-B2 Octahydro-pyrrolo[3,4-c]-pyrrole derivatives and analogs thereof as autotaxin inhibitors HOFFMANN-LA ROCHE INC. (US) 2021-02-09 US disclosed
US-20210015792-A1 OCTAHYDRO-CYCLOBUTA[1,2-c;3,4-c']DIPYRROL-2-YL HOFFMANN-LA ROCHE INC. (US) 2021-01-21 US disclosed
US-10849881-B2 Octahydro-cyclobuta[1,2-c;3,4-c′]dipyrrol-2-yl HOFFMANN-LA ROCHE INC. (US) 2020-12-01 US disclosed
US-6174877-B1 EXCELLANT BACTERICIDES, ORAL ABSORBABILITY AND STABILITY; IMPROVE THE STABILITY TO RENAL DEHYDROPEPTIDASE I (DHP-I); 2-(2-(N-HETEROCYCLIC-ETHYLTHIO-) DERIVATIVES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-01-16 US disclosed
EP-0634449-B1 Polyether with sterically hindered amine side chains as stabilizing agents CIBA GEIGY AG (CH) 1999-09-01 EP disclosed
US-5719257-A OBTAINED BY ANIONIC POLYMERIZATION OF DERIVATIVES OF 2,2,6,6-TETRAMETHYL-4-/2,3-EPOXYPROPOXY/PIPERIDINE CIBA SPECIALTY CHEMICALS CORPORATION (US) 1998-02-17 US disclosed
US-5616637-A PHOTOSTABILITY; OXIDTION AND HEAT RESISTANT CIBA-GEIGY CORPORATION (US) 1997-04-01 US disclosed
US-5521282-A FROM 4-/2,3-EPOXYPROPOXY/-2,2,6,6-TETRAMETHYLPIPERIDINE CIBA-GEIGY CORPORATION (US) 1996-05-28 US disclosed
EP-0634449-A2 Polyether with sterically hindered amine side chains as stabilizing agents CIBA-GEIGY AG (CH) 1995-01-18 EP disclosed
US-4115583-A INSECTICIDE, MITICIDE CIBA-GEIGY CORPORATION (US) 1978-09-19 US disclosed
US-3936479-A 2-BENZAMIDO-BENZOPHENONES, UV STABILIZERS, PLASTICS SANDOZ LTD., (SANDOZ AG) (CH) 1976-02-03 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 (4 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-10913745-B2 Octahydro-pyrrolo[3,4-c]-pyrrole derivatives and analogs thereof as autotaxin inhibitors ENPP2, TPX2, PRAP1 ADH1B 4667/4885ADH1C 3174/4885ADH1A 3578/4885
US-20240025883-A1 PYRIMIDIN-2-YL SULFONAMIDE DERIVATIVES GPR17, GPR27, GPR119 ADH1B 1397/4885ADH1C 1782/4885ADH1A 1942/4885
US-20210015792-A1 OCTAHYDRO-CYCLOBUTA[1,2-c;3,4-c']DIPYRROL-2-YL NPY1R, NPY2R, DECR1 ADH1B 3921/4885ADH1C 462/4885ADH1A 1602/4885
US-10849881-B2 Octahydro-cyclobuta[1,2-c;3,4-c′]dipyrrol-2-yl NPY1R, NPY2R, DECR1 ADH1B 3965/4885ADH1C 504/4885ADH1A 1687/4885

“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.