SCHEMBL407539

SCHEMBL407539

OCC1COc2ccccc2O1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.60
ADRA1A P35348 2/20 0.60
HTT P42858 1/20 0.60
HTR1A P08908 1/20 0.60
DRD1 P21728 1/20 0.60
TBXA2R P21731 1/20 0.60
SLC6A2 P23975 1/20 0.60
DRD3 P35462 1/20 0.60
MTNR1A P48039 1/20 0.57
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
ALOX5 P09917 1/20 0.55
HPGD P15428 2/20 0.54
ALDH1A1 P00352 2/20 0.54
NPC1 O15118 1/20 0.54

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
SCHEMBL30640286 1.00 ADRA2A (0.60) ADRA2AADRA1AHTTHTR1ADRD1
SCHEMBL3266284 1.00 ADRA2A (0.60) ADRA2AADRA1AHTTHTR1ADRD1
SCHEMBL568115 1.00 ADRA2A (0.60) ADRA2AADRA1AHTTHTR1ADRD1
SCHEMBL9316602 0.88 CA2 (0.58) ADRA2AADRA1AHTTHTR1ADRD1
SCHEMBL28929697 0.86 CA2 (0.53) ADRA2AADRA1AHTTHTR1ADRD1
SCHEMBL1545537 0.85 HTT (0.66) ADRA2AADRA1AHTTHTR1ADRD1
SCHEMBL2399301 0.83 SMN1; SMN2 (0.55) ADRA2AADRA1AHTTHTR1ADRD1
SCHEMBL896627 0.83 SMN1; SMN2 (0.55) ADRA2AADRA1AHTTHTR1ADRD1
Methyl Alcohol SCHEMBL10973093 0.81 POLB (0.58) ADRA2AADRA1AHTTHTR1ADRD1
SCHEMBL20445516 0.80 ADRA2A (0.56) ADRA2AADRA1AHTTHTR1ADRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109824646-B Method for synthesizing optically pure 2-hydroxymethyl-1, 4-benzodioxan and derivative thereof 陕西师范大学 2021-12-07 CN claimed
CN-109824646-A A kind of method of the pure 2- methylol -1,4- benzodioxane of synthesizing optical and its derivative 陕西师范大学 2019-05-31 CN claimed
CN-108250177-B A kind of preparation method of 1,4- benzdioxan -2- formic acid 上海馨远医药科技有限公司 2019-05-17 CN claimed
CN-108250177-A A kind of preparation method of 1,4- benzodioxans -2- formic acid 上海馨远医药科技有限公司 2018-07-06 CN claimed
CN-105061392-B A kind of guanoxan sulfate synthetic method 上海现代哈森(商丘)药业有限公司 2017-07-18 CN claimed
US-9616459-B1 Polymeric coatings for fortification of visible, infrared, and laser optical devices LOCKHEED MARTIN CORPORATION (US) 2017-04-11 US claimed
WO-2008016199-A1 PROCESS FOR THE PREPARATION OF CHIRAL 2-HYDROXYMETHYL-1,4-BENZODIOXANE COMPOUND AHN-GOOK PHARMACEUTICAL CO., LTD. (KR) 2008-02-07 WO claimed
US-20060004123-A1 PHASE CHANGE INK PRINTING PROCESS XEROX CORPORATION 2006-01-05 US claimed
US-20040142981-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-07-22 US claimed
US-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 US claimed
EP-1063235-B1 BENZOFURYLPYRONE DERIVATIVES TEIJIN LTD (JP) 2004-05-12 EP claimed
WO-2004018461-A2 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO claimed
WO-2004018428-A1 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO claimed
US-20030186976-A1 Benzofurylpyrone derivatives TEIJIN LIMITED, MICROBIAL CHEMISTRY RESEARCH FOUNDATION 2003-10-02 US claimed
EP-0932609-B1 AZAHETEROCYCLYMETHYL DERIVATIVES OF 2,3,8,9-TETRAHYDRO-7H-1,4-DIOXINO 2,3-e]INDOL-8-ONE WYETH CORP (US) 2003-05-14 EP claimed
EP-1063235-A1 BENZOFURYLPYRONE DERIVATIVES TEIJIN LIMITED (JP) 2000-12-27 EP claimed
US-4539413-A Preparation of 3-amino-1-[(1,4-benzodioxan)-2-yl-methoxy]-2-propanols PIERRE FABRE S.A. (FR) 1985-09-03 US claimed
EP-0037778-B1 2-(1,4-BENZODIOXANYL)-METHOXY-PROPANOL AMINES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINES PIERRE FABRE S.A. (FR) 1983-12-28 EP claimed
JP-9297325-A None JP disclosed
US-3957822-A POLYAMIDES BAYER AKTIENGESELLSCHAFT (DT) 1976-05-18 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-20030186976-A1 Benzofurylpyrone derivatives PLIN5, ACSL5, PLIN1 ADRA2A 3121/4885ADRA1A 1793/4885HTT 2667/4885
US-20040142981-A1 Antibacterial benzoic acid derivatives GABRD, PHB1, GABBR1 ADRA2A 3319/4885ADRA1A 3475/4885HTT 2287/4885
US-20040110802-A1 Antibacterial benzoic acid derivatives GABRD, GABBR1, GABRA1 ADRA2A 3163/4885ADRA1A 3418/4885HTT 1599/4885

“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.