SCHEMBL5630778

SCHEMBL5630778

OCCCOc1ccccc1OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 9/20 0.56
ADRA1D P25100 8/20 0.56
ADRA1A P35348 8/20 0.56
ADRA1B P35368 8/20 0.56
LTA4H P09960 1/20 0.54
EPHX2 P34913 1/20 0.54
TDP1 Q9NUW8 2/20 0.53
MAPT P10636 1/20 0.53
MAPK1 P28482 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
LIPE Q05469 1/20 0.53
KDM4E B2RXH2 1/20 0.50
ALPG P10696 1/20 0.50
PTK2B Q14289 1/20 0.50
DRD2 P14416 1/20 0.50
LMNA P02545 1/20 0.49
CCNB2 O95067 1/20 0.49
CDK1 P06493 1/20 0.49
CDK4 P11802 1/20 0.49
CCNB1 P14635 1/20 0.49

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
SCHEMBL772663 0.90 HTR1A (0.57) HTR1AADRA1DADRA1AADRA1BTDP1
SCHEMBL30327643 0.85 LMNA (0.56) TDP1MAPTL3MBTL1KDM4EPTK2B
SCHEMBL715500 0.85 LMNA (0.56) TDP1MAPTL3MBTL1KDM4EPTK2B
SCHEMBL339812 0.83 MAPT (0.71) HTR1AADRA1DADRA1AADRA1BLTA4H
SCHEMBL10541855 0.83 LTA4H (0.54) HTR1AADRA1DADRA1AADRA1BLTA4H
SCHEMBL23582876 0.82 HTR1A (0.57) HTR1AADRA1DADRA1AADRA1BLTA4H
SCHEMBL10459133 0.82 HTR1A (0.57) HTR1AADRA1DADRA1AADRA1BLTA4H
SCHEMBL29847096 0.82 HTR1A (0.57) HTR1AADRA1DADRA1AADRA1BLTA4H
SCHEMBL7433717 0.81 LTA4H (0.74) LTA4HEPHX2MAPTL3MBTL1LMNA
SCHEMBL12745447 0.81 HTR1A (0.63) HTR1AADRA1DADRA1AADRA1BTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070060748-A1 Compounds with mixed pde-inhibitory and beta-adrenergic antagonist or partial agonist activity for treatment of heart failure ARTESIAN THERAPEUTICS, INC. 2007-03-15 US disclosed
US-20070060748-A1 Compounds with mixed pde-inhibitory and beta-adrenergic antagonist or partial agonist activity for treatment of heart failure ARTESIAN THERAPEUTICS, INC. 2007-03-15 US disclosed
US-20070060748-A1 Compounds with mixed pde-inhibitory and beta-adrenergic antagonist or partial agonist activity for treatment of heart failure ARTESIAN THERAPEUTICS, INC. 2007-03-15 US disclosed
EP-1565472-A2 COMPOUNDS WITH MIXED PDE-INHIBITORY AND BETA-ADRENERGIC ANTAGONIST OR PARTIAL AGONIST ACTIVITY FOR TREATMENT OF HEART FAILURE Artesian Therapeutics, Inc. (US) 2005-08-24 EP disclosed
WO-2005026166-A1 PHYSIOLOGICALLY ACTIVE COMPOSITION, PHARMACEUTICAL COMPOSITION, SUBSTITUTED 1,2-DIHYDRO[2,7] NAPHTHYRIDINES, METHOD FOR THE PRODUCTION AND USE THEREOF 'CHEMICAL DIVERSITY RESEARCH INSTITUTE', LTD. (RU) 2005-03-24 WO disclosed
WO-2005016885-A2 COMPOUNDS WITH COMBINED CALCIUM CHANNEL BLOCKER AND β-ADRENERGIC ANTAGONIST OR PARTIAL AGONIST ACTIVITIES FOR TREATMENT OF HEART DISEASE ARTESIAN THERAPEUTICS, INC. (US) 2005-02-24 WO disclosed
WO-2004050657-A2 COMPOUNDS WITH MIXED PDE-INHIBITORY AND β-ADRENERGIC ANTAGONIST OR PARTIAL AGONIST ACTIVITY FOR TREATMENT OF HEART FAILURE ARTESIAN THERAPEUTICS, INC. (US) 2004-06-17 WO disclosed
WO-2004050657-A2 COMPOUNDS WITH MIXED PDE-INHIBITORY AND β-ADRENERGIC ANTAGONIST OR PARTIAL AGONIST ACTIVITY FOR TREATMENT OF HEART FAILURE ARTESIAN THERAPEUTICS, INC. (US) 2004-06-17 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 (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-20070060748-A1 Compounds with mixed pde-inhibitory and beta-adrenergic antagonist or partial agonist activity for treatment of heart failure ADRB3, PDE3A, PDE3B HTR1A 773/4885ADRA1D 25/4885ADRA1A 24/4885

“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.