SCHEMBL4281930

SCHEMBL4281930

COc1[c]c(OC)c(-c2cccc(OC(C)=O)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAPDH P04406 2/20 0.47
LMNA P02545 3/20 0.44
CYP3A4 P08684 1/20 0.44
BACE1 P56817 4/20 0.44
MAOB P27338 1/20 0.43
ACHE P22303 1/20 0.41
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ADORA2A P29274 1/20 0.39
MAPT P10636 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
GAA P10253 1/20 0.38
HSD17B10 Q99714 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
MTNR1A P48039 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
SCHEMBL4275906 0.86 GAPDH (0.46) GAPDHLMNACYP3A4BACE1MAOB
SCHEMBL4279249 0.78 CYP3A4 (0.47) GAPDHLMNACYP3A4BACE1MAOB
SCHEMBL4283043 0.77 FYN (0.41) CYP3A4AKR1C3AKR1C2
SCHEMBL4281933 0.76 GAPDH (0.50) GAPDHLMNACYP3A4BACE1MAOB
SCHEMBL26009136 0.75 LMNA (0.59) GAPDHLMNACYP3A4BACE1ACHE
SCHEMBL4286830 0.74 LMNA (0.51) GAPDHLMNACYP3A4BACE1MAOB
SCHEMBL7037049 0.73 GAPDH (0.52) GAPDHLMNACYP3A4BACE1MAOB
SCHEMBL7820403 0.73 PDE4B (0.38) BACE1ALDH1A1HTTSMN1; SMN2MAPT
SCHEMBL4285142 0.73 GAPDH (0.47) GAPDHLMNACYP3A4BACE1MAOB
SCHEMBL4283983 0.73 GAPDH (0.47) GAPDHLMNACYP3A4BACE1MAOB

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 GAPDH 380/4885LMNA 210/4885CYP3A4 4637/4885
US-20050159416-A1 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 GAPDH 357/4885LMNA 187/4885CYP3A4 4703/4885

“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.