SCHEMBL4279249

SCHEMBL4279249

COc1[c]ccc(-c2cccc(OC(C)=O)c2)c1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.47
GAPDH P04406 2/20 0.46
LMNA P02545 3/20 0.43
BACE1 P56817 4/20 0.43
MAOB P27338 1/20 0.42
ACHE P22303 1/20 0.40
ALDH1A1 P00352 2/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ADORA2A P29274 1/20 0.39
BCHE P06276 1/20 0.38
MAPT P10636 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
GAA P10253 1/20 0.37
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 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
SCHEMBL4281672 0.87 LMNA (0.47) CYP3A4GAPDHLMNABACE1MAOB
SCHEMBL4281933 0.81 GAPDH (0.50) CYP3A4GAPDHLMNABACE1MAOB
SCHEMBL4276644 0.79 FYN (0.44) CYP3A4
SCHEMBL4281930 0.78 GAPDH (0.47) CYP3A4GAPDHLMNABACE1MAOB
SCHEMBL4276246 0.76 GAPDH (0.46) CYP3A4GAPDHLMNABACE1MAOB
SCHEMBL4277711 0.75 GAPDH (0.49) CYP3A4GAPDHLMNABACE1ACHE
SCHEMBL7823588 0.74 PDE4B (0.40) CYP3A4BACE1ALDH1A1HTTSMN1; SMN2
SCHEMBL26009136 0.74 LMNA (0.59) CYP3A4GAPDHLMNABACE1ACHE
SCHEMBL4280202 0.73 GAPDH (0.44) CYP3A4GAPDHLMNABACE1MAOB
SCHEMBL4283005 0.73 GAPDH (0.44) CYP3A4GAPDHLMNABACE1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2397462-A2 Compounds, compositions and methods of treatment for heart failure Cytokinetics, Inc. (US) 2011-12-21 EP disclosed
US-20090176307-A1 Compounds, Compositions and Methods CYTOKINETICS, INC. 2009-07-09 US disclosed
US-7491826-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2009-02-17 US disclosed
US-7399866-B2 Compounds, compositions, and methods CYTOKINETICS, INC. (US) 2008-07-15 US disclosed
US-20060241110-A1 Compounds, compositions, and methods CYTOKINETICS, INCORPORATED 2006-10-26 US disclosed
US-20050159416-A1 Compounds, compositions and methods CYTOKINETICS, INCORPORATED 2005-07-21 US 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-20060241110-A1 Compounds, compositions, and methods TNNI3, TNNT2, TNNC1 CYP3A4 4637/4885GAPDH 380/4885LMNA 210/4885
US-20050159416-A1 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 CYP3A4 4703/4885GAPDH 357/4885LMNA 187/4885

“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.