SCHEMBL172391

SCHEMBL172391

CCC1COc2ccccc2O1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.61
ESR2 Q92731 1/20 0.61
MTNR1A P48039 1/20 0.57
ADRA2A P08913 2/20 0.56
ADRA1A P35348 2/20 0.56
HTT P42858 1/20 0.56
HTR1A P08908 1/20 0.56
DRD1 P21728 1/20 0.56
TBXA2R P21731 1/20 0.56
SLC6A2 P23975 1/20 0.56
DRD3 P35462 1/20 0.56
ADRA2B P18089 1/20 0.56
ADRA2C P18825 1/20 0.56
ADRA1D P25100 1/20 0.56
ADRA1B P35368 1/20 0.56
SCN1A P35498 1/20 0.56
SCN2A Q99250 1/20 0.56
SCN3A Q9NY46 1/20 0.56
CA2 P00918 3/20 0.54
CYP1A2 P05177 1/20 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
SCHEMBL2631380 1.00 POLB (0.61) POLBESR2MTNR1AADRA2AADRA1A
SCHEMBL31061980 1.00 POLB (0.61) POLBESR2MTNR1AADRA2AADRA1A
Methyl Alcohol SCHEMBL10973093 0.96 POLB (0.58) POLBESR2MTNR1AADRA2AADRA1A
SCHEMBL12309752 0.85 POLB (0.62) POLBESR2MTNR1AADRA2AADRA1A
SCHEMBL7884110 0.84 CA2 (0.58) POLBESR2MTNR1AADRA2AADRA1A
SCHEMBL12602022 0.82 POLB (0.59) POLBESR2MTNR1AADRA2AADRA1A
SCHEMBL15203311 0.80 ALDH1A1 (0.55) POLBESR2MTNR1AADRA2AADRA1A
SCHEMBL18358970 0.80 POLB (0.75) POLBESR2MTNR1AADRA2AADRA1A
SCHEMBL8367125 0.80 POLB (0.75) POLBESR2MTNR1AADRA2AADRA1A
SCHEMBL568115 0.80 ADRA2A (0.60) POLBESR2MTNR1AADRA2AADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023244806-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THAT DEGRADE SWI/SNF-RELATED MATRIX-ASSOCIATED ACTIN-DEPENDENT REGULATOR OF CHROMATIN SUBFAMILY A Plexium, Inc. (US) 2023-12-21 WO disclosed
EP-3356345-B1 HETEROARYL DERIVATIVES AS SEPIAPTERIN REDUCTASE INHIBITORS MAX PLANCK GESELLSCHAFT (DE) 2023-11-08 EP disclosed
US-20230041523-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE AND METABOLIC DISORDERS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2023-02-09 US disclosed
EP-3562821-B9 ISOQUINOLINE COMPOUNDS, METHODS FOR THEIR PREPARATION, AND THERAPEUTIC USES THEREOF IN CONDITIONS ASSOCIATED WITH THE ALTERATION OF THE ACTIVITY OF BETA GALACTOSIDASE MINORYX THERAPEUTICS S L (ES) 2021-05-26 EP disclosed
EP-3587420-B1 TRI-CYCLE COMPOUND AND APPLICATIONS THEREOF FUJIAN COSUNTER PHARMACEUTICAL CO LTD (CN) 2021-03-31 EP disclosed
CN-112533946-A Pathogen control composition and use thereof 旗舰创业创新六公司 2021-03-19 CN disclosed
EP-3562821-B1 ISOQUINOLINE COMPOUNDS, METHODS FOR THEIR PREPARATION, AND THERAPEUTIC USES THEREOF IN CONDITIONS ASSOCIATED WITH THE ALTERATION OF THE ACTIVITY OF BETA GALACTOSIDASE MINORYX THERAPEUTICS S L (ES) 2020-12-02 EP disclosed
US-20200339548-A1 PYRIMIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF CANCER ADORX THERAPEUTICS LTD (GB) 2020-10-29 US disclosed
EP-3725775-A1 PYRIDINE- AND PYRIMIDINECARBOXAMIDES AS CXCR2 MODULATORS Syntrix Biosystems, Inc. (US) 2020-10-21 EP disclosed
US-20200223871-A1 Arginase Inhibitors and Methods of Use ASTRAZENECA AB (SE) 2020-07-16 US disclosed
US-20070099875-A1 Aspartyl protease inhibitors SCHERING CORPORATION 2007-05-03 US disclosed
US-20070072852-A1 2-(Imino-),3,6-(dimethyl-),4-(oxo=),6-(3-(methoxy-)phenyl)-(1,4-phenylene)-perhydropyrimidine; aspartyl protease inhibitors; cardiovascular diseases; cognition activators; neurodegenerative diseases; viricides; HIV; enzyme inhibitors of plasmepins, cathepsin D and protozoal enzymes; hypotensive agents SCHERING CORPORATION 2007-03-29 US disclosed
US-20070043053-A1 Pyrrolo-triazine aniline compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-02-22 US disclosed
US-20070043095-A1 Derivatives of 2-arylimino-2,3-dihydrothiazoles, their preparation processes and their therapeutic use IPSEN PHARMA S.A.S. (FR) 2007-02-22 US disclosed
US-20070021611-A1 Pyridyl and phenyl substituted piperazine-piperidines with CXCR3 antagonist activity SCHERING CORPORATION 2007-01-25 US disclosed
US-20060281729-A1 Macrocyclic heterocyclic aspartyl protease inhibitors SCHERING CORPORATION 2006-12-14 US disclosed
US-20060025415-A1 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED 2006-02-02 US disclosed
US-20060025415-A1 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED 2006-02-02 US disclosed
WO-2005090291-A1 ION CHANNEL MODULATORS WYETH (US) 2005-09-29 WO disclosed
CN-1414963-A novel heteroaryl derivatives, their preparation and use LUNDBECK & CO AS H (DK) 2003-04-30 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 (10 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-20200223871-A1 Arginase Inhibitors and Methods of Use ARG1, ARG2, NOS2 POLB 1908/4885ESR2 3316/4885MTNR1A 1838/4885
US-20200339548-A1 PYRIMIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF CANCER TYMP, TYMS, DPYD POLB 97/4885ESR2 1784/4885MTNR1A 3574/4885
US-20230041523-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE AND METABOLIC DISORDERS NLN, GLS, PRNP POLB 2618/4885ESR2 3357/4885MTNR1A 346/4885
US-20070072852-A1 2-(Imino-),3,6-(dimethyl-),4-(oxo=),6-(3-(methoxy-)phenyl)-(1,4-phenylene)-perhydropyrimidine; aspartyl protease inhibitors; cardiovascular diseases; cognition activators; neurodegenerative diseases; viricides; HIV; enzyme inhibitors of plasmepins, cathepsin D and protozoal enzymes; hypotensive agents CTSD, PRSS1, CTSZ POLB 1391/4885ESR2 3581/4885MTNR1A 2949/4885
US-20070043053-A1 Pyrrolo-triazine aniline compounds useful as kinase inhibitors PLK2, CDK2, MAP3K15 POLB 1629/4885ESR2 1991/4885MTNR1A 1935/4885
US-20060025415-A1 Compositions useful as inhibitors of voltage-gated sodium channels SCNN1G, KCNN3, KCNN2 POLB 4241/4885ESR2 4577/4885MTNR1A 2366/4885
US-20070043095-A1 Derivatives of 2-arylimino-2,3-dihydrothiazoles, their preparation processes and their therapeutic use SSTR2, SSTR5, SSTR3 POLB 4098/4885ESR2 307/4885MTNR1A 52/4885
US-20060281729-A1 Macrocyclic heterocyclic aspartyl protease inhibitors CHRM1, CHRM2, CHRM5 POLB 3264/4885ESR2 1636/4885MTNR1A 628/4885
US-20070021611-A1 Pyridyl and phenyl substituted piperazine-piperidines with CXCR3 antagonist activity CXCR3, CCR1, CCR5 POLB 2551/4885ESR2 1336/4885MTNR1A 1049/4885
US-20070099875-A1 Aspartyl protease inhibitors PRSS1, PRSS3, TMPRSS11D POLB 2426/4885ESR2 3342/4885MTNR1A 1969/4885

“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.