SCHEMBL3220388

SCHEMBL3220388

CCCCNC[C@@H](O)c1ccc(O)c(O)c1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 12/20 0.61
MAPT P10636 7/20 0.61
TDP1 Q9NUW8 7/20 0.61
KDM4E B2RXH2 7/20 0.61
ADRB1 P08588 5/20 0.61
HSD17B10 Q99714 5/20 0.61
DRD2 P14416 4/20 0.61
DRD3 P35462 4/20 0.61
MEN1 O00255 4/20 0.61
KMT2A Q03164 4/20 0.61
TSHR P16473 4/20 0.61
ADRB3 P13945 3/20 0.61
MTOR P42345 3/20 0.61
MAPK1 P28482 3/20 0.61
DRD1 P21728 3/20 0.61
CYP1A2 P05177 3/20 0.61
HIF1A Q16665 3/20 0.61
ALDH1A1 P00352 2/20 0.61
CYP3A4 P08684 2/20 0.61
ADORA3 P0DMS8 2/20 0.61

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
SCHEMBL9768153 1.00 ADRB2 (0.61) ADRB2MAPTTDP1KDM4EADRB1
Hydrochloric Acid SCHEMBL3227981 0.98 ADRB2 (0.62) ADRB2MAPTTDP1KDM4EADRB1
SCHEMBL13790391 0.95 ADRB2 (0.62) ADRB2MAPTTDP1KDM4EADRB1
SCHEMBL9768158 0.94 ADRB2 (0.63) ADRB2MAPTTDP1KDM4EADRB1
SCHEMBL9768151 0.94 ADRB2 (0.63) ADRB2MAPTTDP1KDM4EADRB1
SCHEMBL3503273 0.90 ADRB2 (0.65) ADRB2MAPTTDP1KDM4EADRB1
SCHEMBL3215110 0.90 ADRB2 (0.65) ADRB2MAPTTDP1KDM4EADRB1
Hydrochloric Acid SCHEMBL3207449 0.89 ADRB2 (0.66) ADRB2MAPTTDP1KDM4EADRB1
Hexoprenaline SCHEMBL121449 0.89 ADRB2 (0.72) ADRB2MAPTTDP1KDM4EADRB1
Hexoprenaline SCHEMBL32668781 0.89 ADRB2 (0.72) ADRB2MAPTTDP1KDM4EADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2117524-B1 USE OF CATECHOLAMINES AND RELATED COMPOUNDS AS ANTI-ANGIOGENIC AGENTS NAT RES COUNCIL CANADA (CA) 2019-08-14 EP claimed
US-20170027889-A1 USE OF CATECHOLAMINES AND RELATED COMPOUNDS AS ANTI-ANGIOGENIC AGENTS NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2017-02-02 US claimed
US-9351947-B2 Use of catecholamines and related compounds as anti-angiogenic agents NATIONAL RESEARCH COUNCIL OF CANADA 2016-05-31 US claimed
US-20100069401-A1 USE OF CATECHOLAMINES AND RELATED COMPOUNDS AS ANTI-ANGIOGENIC AGENTS NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2010-03-18 US claimed
EP-2117524-B1 USE OF CATECHOLAMINES AND RELATED COMPOUNDS AS ANTI-ANGIOGENIC AGENTS NAT RES COUNCIL CANADA (CA) 2019-08-14 EP disclosed
US-20170027889-A1 USE OF CATECHOLAMINES AND RELATED COMPOUNDS AS ANTI-ANGIOGENIC AGENTS NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2017-02-02 US disclosed
US-20170027889-A1 USE OF CATECHOLAMINES AND RELATED COMPOUNDS AS ANTI-ANGIOGENIC AGENTS NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2017-02-02 US disclosed
US-20170027888-A1 USE OF CATECHOLAMINES AND RELATED COMPOUNDS AS ANTI-ANGIOGENIC AGENTS NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2017-02-02 US disclosed
US-20170027888-A1 USE OF CATECHOLAMINES AND RELATED COMPOUNDS AS ANTI-ANGIOGENIC AGENTS NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2017-02-02 US disclosed
US-9351947-B2 Use of catecholamines and related compounds as anti-angiogenic agents NATIONAL RESEARCH COUNCIL OF CANADA 2016-05-31 US disclosed
US-9351947-B2 Use of catecholamines and related compounds as anti-angiogenic agents NATIONAL RESEARCH COUNCIL OF CANADA 2016-05-31 US disclosed
US-9351947-B2 Use of catecholamines and related compounds as anti-angiogenic agents NATIONAL RESEARCH COUNCIL OF CANADA 2016-05-31 US disclosed
US-20100069401-A1 USE OF CATECHOLAMINES AND RELATED COMPOUNDS AS ANTI-ANGIOGENIC AGENTS NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2010-03-18 US disclosed
US-20100069401-A1 USE OF CATECHOLAMINES AND RELATED COMPOUNDS AS ANTI-ANGIOGENIC AGENTS NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2010-03-18 US disclosed
US-20100069401-A1 USE OF CATECHOLAMINES AND RELATED COMPOUNDS AS ANTI-ANGIOGENIC AGENTS NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2010-03-18 US disclosed
WO-2008092257-A1 USE OF CATECHOLAMINES AND RELATED COMPOUNDS AS ANTI-ANGIOGENIC AGENTS NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2008-08-07 WO 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-20170027888-A1 USE OF CATECHOLAMINES AND RELATED COMPOUNDS AS ANTI-ANGIOGENIC AGENTS ADRB3, ADRB1, ADRA1D ADRB2 4/4885MAPT 2116/4885TDP1 527/4885
US-20170027889-A1 USE OF CATECHOLAMINES AND RELATED COMPOUNDS AS ANTI-ANGIOGENIC AGENTS SLC6A2, VEGFA, COMT ADRB2 7/4885MAPT 2703/4885TDP1 1979/4885
US-20100069401-A1 USE OF CATECHOLAMINES AND RELATED COMPOUNDS AS ANTI-ANGIOGENIC AGENTS ADRB2, ADRB1, SLC6A2 ADRB2 1/4885MAPT 2957/4885TDP1 2956/4885

“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.