SCHEMBL7054912

SCHEMBL7054912

C=CCOc1ccccc1OCC1CO1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.60
GLA P06280 1/20 0.60
TDP1 Q9NUW8 1/20 0.51
TSHR P16473 3/20 0.46
CYP3A4 P08684 2/20 0.46
TP53 P04637 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HIF1A Q16665 1/20 0.46
LIG1 P18858 1/20 0.45
HPGD P15428 2/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ADRB2 P07550 2/20 0.41
HTR1A P08908 2/20 0.41
HTR2A P28223 2/20 0.41
SLC6A4 P31645 2/20 0.41
ADRA1A P35348 2/20 0.41
ADRA2C P18825 2/20 0.41
SLC6A2 P23975 1/20 0.41
HTR2B P41595 1/20 0.41

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
SCHEMBL7460830 1.00 ALDH1A1 (0.60) ALDH1A1GLATDP1TSHRCYP3A4
SCHEMBL31384189 1.00 ALDH1A1 (0.60) ALDH1A1GLATDP1TSHRCYP3A4
SCHEMBL7519381 1.00 ALDH1A1 (0.60) ALDH1A1GLATDP1TSHRCYP3A4
SCHEMBL22357196 0.86 ALDH1A1 (0.78) ALDH1A1GLATDP1TSHRCYP3A4
SCHEMBL679937 0.86 ALDH1A1 (0.78) ALDH1A1GLATDP1TSHRCYP3A4
SCHEMBL9630670 0.84 ALDH1A1 (0.57) ALDH1A1GLATDP1TSHRCYP3A4
SCHEMBL7315191 0.82 ALDH1A1 (0.51) ALDH1A1GLATDP1TSHRCYP3A4
SCHEMBL5957095 0.82 TSHR (0.48) ALDH1A1GLATSHRCYP3A4TP53
SCHEMBL5957092 0.82 TSHR (0.48) ALDH1A1GLATSHRCYP3A4TP53
SCHEMBL6632887 0.81 TDP1 (0.43) ALDH1A1GLATDP1TSHRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103013945-A Epoxide hydrolase mutant as well as gene and application of epoxide hydrolase mutant UNIV EAST CHINA SCIENCE & TECH 2013-04-03 CN claimed
US-20200216752-A1 HYDROXYL-FUNCTIONAL UNSATURATED POLYAMINE SILICONE LIGAND SUITABLE FOR QUANTUM DOT COMPOSITIONS AND ARTICLES 3M INNOVATIVE PROPERTIES COMPANY 2020-07-09 US disclosed
CN-103013945-B Epoxide hydrolase mutant as well as gene and application of epoxide hydrolase mutant UNIV EAST CHINA SCIENCE & TECH 2014-06-11 CN disclosed
CN-103013945-A Epoxide hydrolase mutant as well as gene and application of epoxide hydrolase mutant UNIV EAST CHINA SCIENCE & TECH 2013-04-03 CN disclosed
US-20090042895-A1 Antidepressant Piperidine Derivatives of Heterocycle-Fused Benzodioxans WYETH (US) 2009-02-12 US disclosed
US-20090042874-A1 ANTIDEPRESSANT HETEROARYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS WYETH (US) 2009-02-12 US disclosed
US-7479500-B2 Antidepressant piperidine derivatives of heterocyclefused benzodioxans WYETH (US) 2009-01-20 US disclosed
US-7419986-B2 Antidepressant azaheterocyclylmethyl derivatives of heterocycle-fused benzodioxans WYETH (US) 2008-09-02 US disclosed
US-7335666-B2 Antidepressant azaheterocyclylmethyl derivatives of heterocycle-fused benzodioxans WYETH (US) 2008-02-26 US disclosed
US-20070004702-A1 Antidepressant azaheterocyclylmethyl derivatives of heterocycle-fused benzodioxans WYETH (US) 2007-01-04 US disclosed
EP-0026298-A1 Method for promoting growth and reducing fat in animals using phenylethanolamine derivatives AMERICAN CYANAMID COMPANY (US) 1981-04-08 EP disclosed
EP-0004532-A1 1-Aryloxy-3-nitratoalkylamino-2-propanols, process for their preparation and pharmaceutical compositions MERCK PATENT GmbH (DE) 1979-10-17 EP disclosed
US-4139623-A HYPOTENSIVE AGENTS C-G CORP. (US) 1979-02-13 US disclosed
US-4075335-A HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1978-02-21 US disclosed
US-4075208-A HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1978-02-21 US disclosed
US-4029795-A 4(2' Isoquinolin-1-one)piperidines CIBA-GEIGY CORPORATION (US) 1977-06-14 US disclosed
US-4027027-A BETA-RECEPTOR-BLOCKERS, HYPOTENSIVES AND VALODILATORS; FOR TREATING ARRYTHMIAS AND ANGINA PECTORIS CIBA-GEIGY CORPORATION (US) 1977-05-31 US disclosed
US-4018778-A ADRENALYTIC OR ANTIARRYTHMIC AGENTS CASSELLA FARBWERKE MAINKUR AKTIENGESELLSCHAFT (DT) 1977-04-19 US disclosed
US-3969512-A N,N'bis-(3-phenoxy-2-hydroxy-propyl)-alkylenediamines and salts thereof BOEHRINGER INGELHEIM GMBH (DT) 1976-07-13 US disclosed
US-3956335-A HYPERTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1976-05-11 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-20090042874-A1 ANTIDEPRESSANT HETEROARYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS HTR5A, CRH, CYP17A1 ALDH1A1 643/4885GLA 3960/4885TDP1 1284/4885
US-20070004702-A1 Antidepressant azaheterocyclylmethyl derivatives of heterocycle-fused benzodioxans CRH, CYP19A1, HTR5A ALDH1A1 640/4885GLA 3214/4885TDP1 678/4885
US-20090042895-A1 Antidepressant Piperidine Derivatives of Heterocycle-Fused Benzodioxans HTR5A, OPRD1, CRH ALDH1A1 394/4885GLA 4241/4885TDP1 957/4885

“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.