SCHEMBL4281933

SCHEMBL4281933

COc1c[c]c(OC)c(-c2cccc(OC(C)=O)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAPDH P04406 2/20 0.50
BACE1 P56817 4/20 0.47
ALDH1A1 P00352 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
TP53 P04637 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
LMNA P02545 4/20 0.44
CYP3A4 P08684 1/20 0.44
MAOB P27338 1/20 0.43
ACHE P22303 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ADORA2A P29274 1/20 0.39
MAPT P10636 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
PKM P14618 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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 0.81 CYP3A4 (0.47) GAPDHBACE1ALDH1A1SMN1; SMN2NPC1
SCHEMBL4281437 0.79 HDAC4 (0.40) BACE1SMN1; SMN2NPC1TP53RAB9A
SCHEMBL26009136 0.78 LMNA (0.59) GAPDHBACE1ALDH1A1SMN1; SMN2NPC1
SCHEMBL7459961 0.77 BACE1 (0.44) BACE1ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL4281930 0.76 GAPDH (0.47) GAPDHBACE1ALDH1A1SMN1; SMN2NPC1
SCHEMBL8469858 0.74 LMNA (0.60) GAPDHBACE1ALDH1A1SMN1; SMN2LMNA
SCHEMBL7037049 0.73 GAPDH (0.52) GAPDHBACE1ALDH1A1SMN1; SMN2NPC1
SCHEMBL4275014 0.73 GAPDH (0.47) GAPDHBACE1ALDH1A1NPC1LMNA
SCHEMBL4275910 0.73 LMNA (0.54) GAPDHBACE1ALDH1A1NPC1LMNA
SCHEMBL4277711 0.73 GAPDH (0.49) GAPDHBACE1ALDH1A1SMN1; SMN2NPC1

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 380/4885BACE1 4751/4885ALDH1A1 4359/4885
US-20050159416-A1 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 GAPDH 357/4885BACE1 4740/4885ALDH1A1 4381/4885

“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.