SCHEMBL212016

SCHEMBL212016

CCCCC(O)OP(=O)(OC)OC

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FDPS P14324 6/20 0.42
CA2 P00918 3/20 0.41
CA1 P00915 2/20 0.41
SMPD1 P17405 3/20 0.40
CYP3A4 P08684 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPK1 P28482 1/20 0.36
PTPN1 P18031 1/20 0.36
FAAH O00519 1/20 0.34
LAP3 P28838 1/20 0.34

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
SCHEMBL8609842 0.90 FDPS (0.46) FDPSCA2CA1SMPD1CYP3A4
SCHEMBL213019 0.82 FDPS (0.45) FDPSCA2CA1SMPD1PTPN1
SCHEMBL212641 0.82 TSHR (0.44) FDPSCA2CA1SMPD1CYP3A4
SCHEMBL8408110 0.82 SMPD1 (0.55) FDPSSMPD1PTPN1LAP3
SCHEMBL2370049 0.82 SMPD1 (0.55) FDPSSMPD1PTPN1LAP3
SCHEMBL210519 0.79 SMPD1 (0.57) FDPSSMPD1PTPN1LAP3
SCHEMBL16089691 0.79 CYP3A4 (0.42) FDPSCA2CA1SMPD1CYP3A4
SCHEMBL28012460 0.79 TSHR (0.42) CA2CA1CYP3A4LAP3
SCHEMBL10528884 0.76 FDPS (0.42) FDPSSMPD1CYP3A4L3MBTL1PTPN1
SCHEMBL5878668 0.74 LMNA (0.32) CYP3A4

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
US-8895582-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-11-25 US disclosed
US-8759374-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-06-24 US disclosed
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2013-02-28 US disclosed
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2012-05-31 US disclosed
US-8088793-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2012-01-03 US disclosed
US-20090275537-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-11-05 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 (3 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-20090275537-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 FDPS 3701/4885CA2 81/4885CA1 1965/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 FDPS 3701/4885CA2 81/4885CA1 1965/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 FDPS 3701/4885CA2 81/4885CA1 1965/4885

“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.