SCHEMBL4281672

SCHEMBL4281672

COc1c(C)[c]ccc1-c1cccc(OC(C)=O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
GAPDH P04406 2/20 0.46
MAOB P27338 1/20 0.45
CYP3A4 P08684 1/20 0.43
BACE1 P56817 4/20 0.43
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 3/20 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
SCHEMBL4279249 0.87 CYP3A4 (0.47) LMNAGAPDHMAOBCYP3A4BACE1
SCHEMBL4278542 0.81 LMNA (0.51) LMNAGAPDHMAOBCYP3A4BACE1
SCHEMBL4280266 0.78 FYN (0.43) MAOBCYP3A4ACHE
SCHEMBL4276246 0.76 GAPDH (0.46) LMNAGAPDHMAOBCYP3A4BACE1
SCHEMBL4277711 0.75 GAPDH (0.49) LMNAGAPDHCYP3A4BACE1ACHE
SCHEMBL4275910 0.75 LMNA (0.54) LMNAGAPDHMAOBCYP3A4BACE1
SCHEMBL26009136 0.74 LMNA (0.59) LMNAGAPDHCYP3A4BACE1ACHE
SCHEMBL4286830 0.73 LMNA (0.51) LMNAGAPDHMAOBCYP3A4BACE1
SCHEMBL4281933 0.73 GAPDH (0.50) LMNAGAPDHMAOBCYP3A4BACE1
SCHEMBL4281930 0.73 GAPDH (0.47) LMNAGAPDHMAOBCYP3A4BACE1

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 LMNA 210/4885GAPDH 380/4885MAOB 2129/4885
US-20050159416-A1 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 LMNA 187/4885GAPDH 357/4885MAOB 2315/4885

“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.