SCHEMBL309047

SCHEMBL309047

COc1ccc(C(C)=O)c2cc(C(=O)O)oc12

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 12/20 0.60
PDE4B Q07343 11/20 0.60
PDE4C Q08493 11/20 0.60
PDE4D Q08499 11/20 0.60
LMNA P02545 2/20 0.51
RECQL P46063 1/20 0.51
PIM1 P11309 1/20 0.47
ALDH1A1 P00352 3/20 0.46
HPGD P15428 2/20 0.46
MAPT P10636 1/20 0.46
PDE5A O76074 2/20 0.44
KDM4E B2RXH2 1/20 0.43
HSD17B10 Q99714 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
SCHEMBL7056726 0.90 PDE4A (0.62) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL22442113 0.89 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL18384672 0.86 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL7050573 0.82 PDE4A (0.61) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL14369633 0.82 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL7051399 0.81 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL7053236 0.80 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL7053234 0.80 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL7053230 0.80 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL11745737 0.79 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
EP-2111406-B1 SUBSTITUTED SPIROCHROMANONE DERIVATIVES AS ACC INHIBITORS MERCK SHARP & DOHME (US) 2012-10-24 EP disclosed
US-8093389-B2 e.g. 1-[(1-Ethyl-4-methoxy-1H-benzimidazol-6-yl)carbonyl]-6-(1H-tetrazol-5-yl)spiro[chroman-2,4'-piperidine]-4-one; acetyl CoA carboxylase inhibitors; antidiabetic, hypoglycemic agent; metabolic syndrome, fatty liver, hyperlipemia, obesity, diabetes, bulimia, malignant neoplasm or infectious diseases MERCK SHARP & DOHME CORP. (US) 2012-01-10 US disclosed
EP-2111406-A1 SUBSTITUTED SPIROCHROMANONE DERIVATIVES AS ACC INHIBITORS Merck & Co., Inc. (US) 2009-10-28 EP disclosed
WO-2008088688-A1 SUBSTITUTED SPIROCHROMANONE DERIVATIVES AS ACC INHIBITORS MERCK & CO., INC. (US) 2008-07-24 WO disclosed
US-20080171761-A1 Substituted spirochromanone derivatives MERCK SHARP & DOHME LLC 2008-07-17 US disclosed
US-20080039442-A1 Compounds With Kv4 Ion Channel Activity DEVGEN NV (BE) 2008-02-14 US disclosed
EP-1838690-A2 COMPOUNDS WITH KV4 ION CHANNEL ACTIVITY Devgen N.V. (BE) 2007-10-03 EP disclosed
WO-2006066879-A2 COMPOUNDS WITH KV4 ION CHANNEL ACTIVITY DEVGEN N.V. (BE) 2006-06-29 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 (2 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-20080039442-A1 Compounds With Kv4 Ion Channel Activity KCNA4, HCN4, KCNN4 PDE4A 419/4885PDE4B 365/4885PDE4C 604/4885
US-20080171761-A1 Substituted spirochromanone derivatives CBR3, CBR1, CNKSR1 PDE4A 4670/4885PDE4B 4699/4885PDE4C 4575/4885

“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.