SCHEMBL4895540

SCHEMBL4895540

COC(=O)CCC(=O)c1ccc(O)nc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
KMT2A Q03164 2/20 0.43
HTT P42858 2/20 0.43
LMNA P02545 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ESRRB O95718 1/20 0.42
TSHR P16473 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.40
MAPK1 P28482 2/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
ATM Q13315 1/20 0.40
MMP1 P03956 1/20 0.40
CXCR1 P25024 1/20 0.39
CXCR2 P25025 1/20 0.39
GAA P10253 1/20 0.38
KDM4E B2RXH2 2/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL8409678 0.83 SMN1; SMN2 (0.54) MAPTKMT2ALMNAALDH1A1L3MBTL1
SCHEMBL27658803 0.80 NR4A2 (0.52) KMT2ALMNAALDH1A1HSD17B10TSHR
SCHEMBL2305014 0.78 HSD17B3 (0.60) MAPTKMT2AHTTLMNAALDH1A1
SCHEMBL20658530 0.76 NPC1 (0.41) L3MBTL1KDM4E
SCHEMBL23149668 0.76 ALDH1A1 (0.47) MAPTKMT2AALDH1A1TSHRMEN1
SCHEMBL30786505 0.76 ALDH1A1 (0.47) MAPTKMT2AALDH1A1TSHRMEN1
SCHEMBL64688 0.75 MAPK1 (0.67) MAPTKMT2AHTTLMNAALDH1A1
SCHEMBL15088738 0.75 MAPT (0.46) MAPTKMT2AHTTALDH1A1L3MBTL1
SCHEMBL17893950 0.75 MAPK1 (0.66) MAPTKMT2AHTTLMNAALDH1A1
SCHEMBL8262382 0.75 CXCR1 (0.58) MAPTKMT2AALDH1A1MAPK1ATM

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 MAPT 2409/4885KMT2A 4700/4885HTT 4423/4885

“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.