SCHEMBL4276644

SCHEMBL4276644

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

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FYN P06241 4/20 0.44
BMPR1A P36894 1/20 0.41
TGFBR1 P36897 1/20 0.41
ACVRL1 P37023 1/20 0.41
ACVR1 Q04771 1/20 0.41
HSD17B1 P14061 7/20 0.40
HSD17B2 P37059 7/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
PELI1 Q96FA3 2/20 0.37
KDM1A O60341 1/20 0.37
MAOA P21397 1/20 0.37
BRAF P15056 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36

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
SCHEMBL4280266 0.86 FYN (0.43) FYNBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL4284603 0.86 HSD17B1 (0.39) FYNBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL4288028 0.83 HSD17B1 (0.41) FYNBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL7823588 0.82 PDE4B (0.40) CYP3A4PDE4APDE4BPDE4CPDE4D
SCHEMBL4279249 0.79 CYP3A4 (0.47) CYP3A4
SCHEMBL4281437 0.77 HDAC4 (0.40) FYNHSD17B1HSD17B2CYP3A4CYP2C9
SCHEMBL16720390 0.76 HSD17B1 (0.48) FYNBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL10768303 0.76 ACHE (0.35)
SCHEMBL16720072 0.75 KDM1A (0.46) FYNBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL4283043 0.75 FYN (0.41) FYNBMPR1ATGFBR1ACVRL1ACVR1

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 FYN 4558/4885BMPR1A 4267/4885TGFBR1 4376/4885
US-20050159416-A1 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 FYN 4550/4885BMPR1A 4317/4885TGFBR1 4286/4885

“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.