SCHEMBL4897331

SCHEMBL4897331

CC(=O)Cc1ccc(OCCOC(C)=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.53
KDM4E B2RXH2 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
PDE4A P27815 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HIF1A Q16665 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
ALDH1A1 P00352 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
LMNA P02545 2/20 0.45
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL10030181 0.87 L3MBTL1 (0.55) SMN1; SMN2ALDH1A1L3MBTL1LMNAGAA
SCHEMBL10861821 0.84 PKM (0.58) POLBKDM4ECYP1A2CYP2D6PDE4A
SCHEMBL874241 0.84 POLB (0.54) POLBKDM4ECYP1A2CYP2D6PDE4A
SCHEMBL8347541 0.82 KDM4E (0.68) POLBKDM4ECYP1A2CYP2D6PDE4A
SCHEMBL9632476 0.82 LMNA (0.60) POLBKDM4ECYP1A2CYP2D6PDE4A
SCHEMBL7153441 0.82 POLB (0.56) POLBKDM4ECYP1A2CYP2D6PDE4A
SCHEMBL9118684 0.82 L3MBTL1 (0.50) HDAC10HDAC6ALDH1A1L3MBTL1LMNA
SCHEMBL10702122 0.81 ALDH1A1 (0.48) ALDH1A1L3MBTL1LMNAGAAMAPT
SCHEMBL7150227 0.81 ACACB (0.53) POLBKDM4ECYP1A2CYP2D6PDE4A
SCHEMBL5290227 0.81 ALDH1A1 (0.48) ALDH1A1L3MBTL1LMNAGAAMAPT

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 7 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

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 POLB 3821/4885KDM4E 3413/4885CYP1A2 1047/4885

“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.