SCHEMBL4900380

SCHEMBL4900380

COCCn1c2ccccc2c2c(OCc3ccccc3)cccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.44
PTGER4 P35408 1/20 0.44
MAPT P10636 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP1A2 P05177 4/20 0.41
CYP3A4 P08684 4/20 0.41
ALDH1A1 P00352 2/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
HIF1A Q16665 1/20 0.41
CYP2C19 P33261 2/20 0.41
HTR1A P08908 2/20 0.40
ADRA1D P25100 2/20 0.40
ADRA1A P35348 2/20 0.40
ADRA1B P35368 2/20 0.40
ADORA3 P0DMS8 2/20 0.40
ADORA2A P29274 1/20 0.40

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
SCHEMBL8266044 0.81 HPGD (0.48) MAPTTDP1CYP1A2CYP3A4LMNA
SCHEMBL4900381 0.80 ALDH1A1 (0.49) PTGER4MAPTTDP1L3MBTL1CYP3A4
SCHEMBL6921654 0.76 HTR6 (0.49) HTR1AADRA1DADRA1AADRA1B
SCHEMBL4901387 0.75 PTGER4 (0.50) PTGER4MAPTALDH1A1HPGD
SCHEMBL1149879 0.75 PTGER4 (0.67) PTGER4CYP1A2ALDH1A1CYP2C19HPGD
SCHEMBL22163073 0.72 PSEN1 (0.47) ALDH1A1LMNAHPGD
SCHEMBL6920951 0.71 CYP19A1 (0.53) MAPK1MAPTALDH1A1
SCHEMBL6921144 0.71 CYP19A1 (0.53) TDP1ALDH1A1HPGD
SCHEMBL6926400 0.71 HTR1B (0.51) TDP1CYP1A2ALDH1A1HTR1AADRA1A
SCHEMBL6924418 0.71 HTR1B (0.51) L3MBTL1CYP1A2CYP3A4LMNATSHR

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-20080255134-A1 Cardiotonic Compounds With Inhibitory Activity Against Beta-Adrenergic Receptors And Phosphodiesterase ARTESIAN THERAPEUTICS, INC. (US) 2008-10-16 US disclosed
US-20080255134-A1 Cardiotonic Compounds With Inhibitory Activity Against Beta-Adrenergic Receptors And Phosphodiesterase ARTESIAN THERAPEUTICS, INC. (US) 2008-10-16 US disclosed
US-20080255134-A1 Cardiotonic Compounds With Inhibitory Activity Against Beta-Adrenergic Receptors And Phosphodiesterase ARTESIAN THERAPEUTICS, INC. (US) 2008-10-16 US disclosed
EP-1833480-A2 CARDIOTONIC COMPOUNDS WITH INHIBITORY ACTIVITY AGAINST BETA-ADRENERGIC RECEPTORS AND PHOSPHODIESTERASE Artesian Therapeutics, Inc. (US) 2007-09-19 EP disclosed
WO-2006060122-A9 CARDIOTONIC COMPOUNDS WITH INHIBITORY ACTIVITY AGAINST BETA-ADRENERGIC RECEPTORS AND PHOSPHODIESTERASE ARTESIAN THERAPEUTICS INC (US) 2006-08-17 WO disclosed
WO-2006060122-A9 CARDIOTONIC COMPOUNDS WITH INHIBITORY ACTIVITY AGAINST BETA-ADRENERGIC RECEPTORS AND PHOSPHODIESTERASE ARTESIAN THERAPEUTICS INC (US) 2006-08-17 WO disclosed
WO-2006060122-A2 CARDIOTONIC COMPOUNDS WITH INHIBITORY ACTIVITY AGAINST BETA-ADRENERGIC RECEPTORS AND PHOSPHODIESTERASE ARTESIAN THERAPEUTICS, INC. (US) 2006-06-08 WO disclosed
WO-2006060122-A2 CARDIOTONIC COMPOUNDS WITH INHIBITORY ACTIVITY AGAINST BETA-ADRENERGIC RECEPTORS AND PHOSPHODIESTERASE ARTESIAN THERAPEUTICS, INC. (US) 2006-06-08 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-20080255134-A1 Cardiotonic Compounds With Inhibitory Activity Against Beta-Adrenergic Receptors And Phosphodiesterase ADRB3, PDE3A, ADRB1 MAPK1 1633/4885PTGER4 286/4885MAPT 2409/4885

“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.