SCHEMBL3687682

SCHEMBL3687682

c1ccc(C(OC(c2ccccc2)[C@@H]2CO2)[C@@H]2CO2)cc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.44
CHRM2 P08172 2/20 0.39
CHRM4 P08173 2/20 0.39
CHRM5 P08912 2/20 0.39
CHRM1 P11229 2/20 0.39
CHRM3 P20309 2/20 0.39
EPHX1 P07099 1/20 0.39
TSHR P16473 1/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38

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
SCHEMBL151181 1.00 IDO1 (0.44) IDO1CHRM2CHRM4CHRM5CHRM1
Ethylene Glycol SCHEMBL8153345 0.91 CHRM2 (0.38) IDO1CHRM2CHRM4CHRM5CHRM1
SCHEMBL7867600 0.88 EPHX1 (0.41) IDO1EPHX1
Phthalic Anhydride SCHEMBL10391291 0.86 TDP1 (0.45) IDO1CHRM2CHRM4CHRM5CHRM1
SCHEMBL28635190 0.85 LTA4H (0.41) TSHRSLC6A2SLC6A4SLC6A3
SCHEMBL7294198 0.85 EPHX1 (0.55) IDO1CHRM2CHRM4CHRM5CHRM1
SCHEMBL27376966 0.85 IDO1 (0.42) IDO1CHRM2CHRM4CHRM5CHRM1
Acrylic Acid SCHEMBL1344846 0.85 SLC6A3 (0.36) IDO1SLC6A2SLC6A4SLC6A3
SCHEMBL8045688 0.84 CHRM2 (0.42) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL8847061 0.84 MGLL (0.42) CHRM2CHRM5CHRM3SLC6A2SLC6A4

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1616852-B1 PROCESS FOR PRODUCING BETA-HYDROXYESTER DAISO CO LTD (JP) 2010-08-11 EP disclosed
US-7256305-B2 Process for producing β-hydroxyester DAISO CO., LTD. (JP) 2007-08-14 US disclosed
US-20060122419-A1 Esterification of an epoxide, an alcohol and carbon monoxide in the presence of a cobalt carbonyl compound as catalyst and a cocatalyst of substituted pyridine DAISO CO., LTD. (JP) 2006-06-08 US disclosed
EP-1616852-A1 PROCESS FOR PRODUCING BETA-HYDROXYESTER DAISO CO., LTD. (JP) 2006-01-18 EP disclosed
EP-0328251-B1 2-(2-Hydroxy-3-phenoxypropylamino)ethylphenoxyacetamides and processes and intermediates for their preparation ICI PLC (GB) 1994-04-13 EP disclosed
EP-0426804-B1 2-(2-HYDROXY-3-PHENOXYPROPYLAMINO)-ETHOXYBENZENE DERIVATIVES ICI PLC (GB) 1994-01-19 EP disclosed
EP-0426804-A1 2-(2-HYDROXY-3-PHENOXYPROPYLAMINO)-ETHOXYBENZENE DERIVATIVES. ICI PLC (GB) 1991-05-15 EP disclosed
US-4999377-A 2-(2-hydroxy-3-phenoxypropylamino)ethylphenoxyacetamide compounds; dietetics IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-03-12 US disclosed
WO-1990013535-A1 COMPOUNDS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-11-15 WO disclosed
CN-1005711-B Preparation method of phenoxypropanolamine compounds 弗·哈夫曼-拉罗彻公司 1989-11-08 CN disclosed
EP-0328251-A2 2-(2-Hydroxy-3-phenoxypropylamino)ethylphenoxyacetamides and processes and intermediates for their preparation IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-08-16 EP disclosed
CN-85101280-A Benzene oxygen propanol amine compounds 1987-01-17 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-20060122419-A1 Esterification of an epoxide, an alcohol and carbon monoxide in the presence of a cobalt carbonyl compound as catalyst and a cocatalyst of substituted pyridine CYP2E1, CBR1, ADH1A IDO1 1302/4885CHRM2 871/4885CHRM4 491/4885

“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.