SCHEMBL321109

SCHEMBL321109

OCCCNOc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
LMNA P02545 3/20 0.45
HPGD P15428 1/20 0.45
RECQL P46063 2/20 0.43
POLB P06746 1/20 0.41
RAD52 P43351 1/20 0.41
HSD17B10 Q99714 1/20 0.40
DRD2 P14416 2/20 0.39
DRD4 P21917 2/20 0.39
DRD3 P35462 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
KCNH3 Q9ULD8 1/20 0.39
HTR1B P28222 2/20 0.38
KCNA3 P22001 1/20 0.38
GAA P10253 2/20 0.38
HTT P42858 1/20 0.38
LTA4H P09960 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
EPHX2 P34913 1/20 0.37

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
SCHEMBL8694783 0.87 ALDH1A1 (0.46) ALDH1A1LMNAHPGDRECQLPOLB
SCHEMBL3227303 0.79 LTA4H (0.47) ALDH1A1RECQLDRD2DRD4DRD3
SCHEMBL1045802 0.78 DRD2 (0.58) HPGDPOLBDRD2DRD4DRD3
SCHEMBL3229694 0.78 LTA4H (0.47) ALDH1A1LMNAHPGDDRD2DRD3
SCHEMBL3229711 0.76 ZDHHC2 (0.48) ALDH1A1LMNADRD2DRD3HTT
SCHEMBL3222529 0.76 ZDHHC2 (0.48) ALDH1A1LMNADRD2DRD3HTT
SCHEMBL3213441 0.76 ZDHHC2 (0.48) ALDH1A1LMNADRD2DRD3HTT
Acetic Acid SCHEMBL7350357 0.76 HDAC3 (0.49) ALDH1A1LMNARECQLPOLBKMT2A
SCHEMBL10524805 0.76 SMN1; SMN2 (0.47) ALDH1A1LMNAPOLBKMT2AMEN1
SCHEMBL1033246 0.74 HTR1B (0.42) RECQLDRD2DRD4DRD3KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1109542-A4 NITROSATED AND NITROSYLATED ALPHA-ADRENERGIC RECEPTOR ANTAGONISTS, COMPOSITIONS AND METHODS OF USE NITROMED INC (US) 2008-03-26 EP claimed
WO-2007087367-A9 METHODS AND COMPOSITIONS FOR MODULATING THE MOBILIZATION OF STEM CELLS SINAI SCHOOL MEDICINE (US) 2007-09-13 WO claimed
US-20070190023-A1 Methods and compositions for modulating the mobilization of stem cells MOUNT SINAI SCHOOL OF MEDICINE 2007-08-16 US claimed
WO-2007087367-A2 METHODS AND COMPOSITIONS FOR MODULATING THE MOBILIZATION OF STEM CELLS MOUNT SINAI SCHOOL OF MEDICINE (US) 2007-08-02 WO claimed
US-20050187222-A1 Nitrosated and nitrosylated alpha-adrenergic receptor antagonist compounds NITROMED, INC. (US) 2005-08-25 US claimed
US-20050065161-A1 Nitrosated and nitrosylated alpha-adrenergic receptor antagonist compounds, compositions and their uses NITROMED, INC. (US) 2005-03-24 US claimed
US-6852736-B2 Phenoxypropanolamines, preparation and therapeutic use thereof SANOFI-SYNTHELABO (FR) 2005-02-08 US claimed
EP-1242404-B1 PHENOXYPROPANOLAMINES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI SYNTHELABO (FR) 2004-07-07 EP claimed
US-20030105135-A1 Phenoxypropanolamines, preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2003-06-05 US claimed
US-20030040485-A1 alpha/beta-adrenoceptors blockers and angiotensin converting enzyme inhibitors derived from hydroxyphenyl carboxylic acid and alcohol CHEN ING-JUN (TW) 2003-02-27 US claimed
EP-0064487-A1 New substituted 3-(parasubstituted)phenoxy-1-alkylamino-propanol-2-s, as well as process for their preparation, pharmaceutical preparations containing same, and method for treating cardiac failure Aktiebolaget Hässle (SE) 1982-11-10 EP claimed
EP-0041491-A1 New para-substituted 3-phenoxy-1-alkylamino-propanol-2-s having beta receptor blocking properties Aktiebolaget Hässle (SE) 1981-12-09 EP claimed
US-4263323-A β-Receptor blocking compounds and treatment of cardiovascular disorders therewith AKTIEBOLAGET HASSLE (SE) 1981-04-21 US claimed
US-4263325-A PHENOXY- AMINE DERIVATIVES AKTIEBOLAGET HASSLE (SE) 1981-04-21 US claimed
US-4258062-A ISOPRENALINE ANTAGONISTS EFFECTING HEART RATE AND BLOOD PRESSURE MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1981-03-24 US claimed
EP-0007294-A2 Membrane stabilizing compounds having beta-receptor blocking activity, their preparation, method for treatment of arrhythmic conditions, and pharmaceutical preparations containing same Aktiebolaget Hässle (SE) 1980-01-23 EP claimed
US-4171370-A Phenoxy-amino-propanols MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1979-10-16 US claimed
US-4161542-A 3-(2-/P-HYDROXYPHENYL/-1-METHYLETHYLAMINO)-1-PHENOXY-2-PROPANOL/; AKTIEBOLAGET HASSLE (SE) 1979-07-17 US claimed
US-4145442-A ADRENERGIC STIMULANTS; ANTAGONIST, ANTAGONISM AKTIEBOLAGET HASSLE (SE) 1979-03-20 US claimed
US-3996382-A Phenoxy-hydroxypropylamines, their preparation, and method and pharmaceutical preparations for treating cardiovascular diseases AKTIEBOLAGET HASSLE (SW) 1976-12-07 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20050065161-A1 Nitrosated and nitrosylated alpha-adrenergic receptor antagonist compounds, compositions and their uses ADRB1, ADRB2, ADRB3 ALDH1A1 584/4885LMNA 4057/4885HPGD 308/4885
US-20050187222-A1 Nitrosated and nitrosylated alpha-adrenergic receptor antagonist compounds ADRB1, ADRB3, ADRA1D ALDH1A1 628/4885LMNA 3062/4885HPGD 145/4885
US-20030040485-A1 alpha/beta-adrenoceptors blockers and angiotensin converting enzyme inhibitors derived from hydroxyphenyl carboxylic acid and alcohol AGTR2, AGTR1, ADRB2 ALDH1A1 141/4885LMNA 2535/4885HPGD 384/4885
US-20030105135-A1 Phenoxypropanolamines, preparation and therapeutic use thereof CNR1, ADRB3, ADRB1 ALDH1A1 637/4885LMNA 502/4885HPGD 2286/4885

“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.