SCHEMBL5779685

SCHEMBL5779685

ClC1Cc2ccccc2O1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.41
MAOA P21397 6/20 0.41
AOC2 O75106 5/20 0.41
CHRM2 P08172 2/20 0.41
CHRM4 P08173 2/20 0.41
CHRM5 P08912 2/20 0.41
CHRM1 P11229 2/20 0.41
CHRM3 P20309 2/20 0.41
DAO P14920 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
NISCH Q9Y2I1 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
CYP19A1 P11511 3/20 0.36
KDM4E B2RXH2 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
AR P10275 1/20 0.36

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
SCHEMBL10744654 0.78 MAOB (0.42) MAOBMAOAAOC2CHRM2CHRM4
SCHEMBL3230349 0.78 HTR1A (0.45) MAOBMAOANISCH
SCHEMBL30211314 0.78 HTR1A (0.45) MAOBMAOANISCH
Hydrochloric Acid SCHEMBL9668991 0.77 HTR1A (0.44) MAOBMAOANISCH
SCHEMBL5722720 0.74 MAOB (0.42) MAOBMAOAAOC2CHRM2CHRM4
SCHEMBL29935960 0.74 MAOB (0.42) MAOBMAOAAOC2CHRM2CHRM4
SCHEMBL28327596 0.74 MAOA (0.33) MAOBMAOAAOC2CHRM2CHRM4
Hydrochloric Acid SCHEMBL28624862 0.74 AOC2 (0.43) MAOBMAOAAOC2CHRM2CHRM4
SCHEMBL8470150 0.73 BRD4 (0.50) MAOBMAOAAOC2CHRM2CHRM4
SCHEMBL19268288 0.73 MAOA (0.45) MAOBMAOAAOC2CHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4156936-A1 ACTIVE COMPOUND COMBINATIONS Bayer Aktiengesellschaft (DE) 2023-04-05 EP disclosed
CN-109790122-A Heterocyclic compound 武田药品工业株式会社 2019-05-21 CN disclosed
CN-109563063-A The method of 2, the 3- dihydro -1- benzofuran derivatives of 4- substitution is prepared by the cyclisation of 2- (phenyl that 2- diazonium -6 replaces) ethylate 拜耳作物科学股份公司 2019-04-02 CN disclosed
CN-106588841-B The method for synthesizing 2,3- dihydro -1- benzofuran -4- formaldehyde 富乐马鸿凯(大连)医药有限公司 2019-01-25 CN disclosed
CN-108329285-A A method of synthesis 2,3- Dihydrobenzofuranes class compounds 武汉大学 2018-07-27 CN disclosed
CN-104910161-B Pyrazolopyrimidine compound and method as JAK inhibitor 健泰科生物技术公司 2018-03-30 CN disclosed
CN-104918935-B dihydropyrazole GPR40 modulators 百时美施贵宝公司 2017-07-28 CN disclosed
CN-106588841-A Synthesis method of 2,3-dihydro-1-benzofuran-4-carbaldehyde 大连鸿凯化工科技发展有限公司 2017-04-26 CN disclosed
CN-104244939-A Kynurenine-3-monooxygenase inhibitors, pharmaceutical compositions, and methods of use thereof CHDI FOUNDATION INC 2014-12-24 CN disclosed
CN-102267964-B 3-hydroxy-2,3-dihydro-benzofuran derivatives as well as synthesis method and application thereof UNIV ZHEJIANG NORMAL 2014-06-18 CN disclosed
CN-101374519-A Modulators of muscarinic receptors VERTEX PHARMA (US) 2009-02-25 CN disclosed
CN-101031296-A Modulators of muscarinic receptors VERTEX PHARMA (US) 2007-09-05 CN disclosed
CN-100335474-C Preparation process for 2-oxocyclohexylidene acetate enol-lacton and application thereof HOECHST FRANCE (FR) 2007-09-05 CN disclosed
CN-1976705-A 1,1, 1-trifluoro-4-phenyl-4-methyl-2- (1H-pyrrolo [2, 3-C ] pyridin-2-ylmethyl) pentan-2-ol derivatives and related compounds as glucocorticoid ligands for the treatment of inflammatory diseases and diabetes BOEHRINGER INGELHEIM PHARMA (US) 2007-06-06 CN disclosed
EP-1673088-A1 1,1,1- TRIFLUORO-4-PHENYL-4-METHYL-2-(1H-PYRROLO¬2,3-C|PYRIDIN-2-YLMETHYL)PENTAN-2-OL DERIVATIVES AND RELATED COMPOUNDS AS GLUCOCORTICOID LIGANDS FOR THE TREATMENT OF INFLAMMATORY DISEASES AND DIABETES BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-06-28 EP disclosed
US-20050176706-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-08-11 US disclosed
CN-1202102-C Method for the production of 2-coumarone and substituted 2-coumarones DSM FINE CHEM AUSTRIA GMBH (AT) 2005-05-18 CN disclosed
WO-2005030213-A1 1,1,1-TRIFLUORO-4-PHENYL-4-METHYL-2-(1H-PYRROLO BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-04-07 WO disclosed
CN-1434815-A Method for the production of 2-coumarone and substituted 2-coumarones DSM FINE CHEM AUSTRIA GMBH (AT) 2003-08-06 CN disclosed
CN-1014148-B PROCESS FOR PREPARATION OF 2,3-DIHYDROBENZOFURAN-5-SULFONYLAMINE DERIVS. SHIONOGI & CO (JP) 1991-10-02 CN 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 (1 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-20050176706-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof NR3C1, NR3C2, MC2R MAOB 2970/4885MAOA 3497/4885AOC2 4740/4885

“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.