SCHEMBL5631026

SCHEMBL5631026

CCCNCC(O)COc1ccc(C(=O)c2[nH]c(=O)[nH]c2C)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 4/20 0.52
▸ CA12 O43570 1/20 0.47
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ ATM Q13315 2/20 0.45
▸ CYP1A2 P05177 2/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ PDE4A P27815 1/20 0.44
▸ BLM P54132 1/20 0.44
▸ PMP22 Q01453 1/20 0.44
▸ PDE4B Q07343 1/20 0.44
▸ PDE4C Q08493 1/20 0.44

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
SCHEMBL5630537 0.89 ABCB1 (0.55) ABCB1MEN1KMT2AATMCYP1A2
SCHEMBL5631023 0.85 PTGS1 (0.53) MEN1KMT2ACYP1A2CYP3A4ALOX15
SCHEMBL5632118 0.85 PDE4A (0.46) ABCB1KMT2AATMCYP1A2CYP3A4
SCHEMBL5632117 0.78 PDE4A (0.48) ABCB1ATMCYP1A2CYP3A4CYP2C9
SCHEMBL5630529 0.75 ADRB2 (0.51) CYP1A2ADRB2ADRB1ADRB3
SCHEMBL5459285 0.74 PDE4A (0.57) ATMCYP1A2CYP3A4CYP2C9HPGD
SCHEMBL5457259 0.73 PDE4A (0.53) ATMCYP1A2CYP3A4CYP2C9HPGD
SCHEMBL5317106 0.71 ADRB3 (0.51) ABCB1CA12CA1CA2CA9
SCHEMBL10638592 0.71 PDE4A (0.60) CA12CA1CA2CA9MEN1
SCHEMBL20436123 0.71 ADRB3 (0.54) CA12CA1CA2CA9MEN1

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 3 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
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-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 ABCB1 947/4885CA12 2764/4885CA1 1611/4885

“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.

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