SCHEMBL721724

SCHEMBL721724

CCCCCCCCCCCCOC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C.[NaH]

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.74
KMT2A Q03164 2/20 0.74
MEN1 O00255 1/20 0.74
SLCO1B3 Q9NPD5 1/20 0.74
SLCO1B1 Q9Y6L6 1/20 0.74
USP2 O75604 1/20 0.74
GPBAR1 Q8TDU6 9/20 0.70
PDE3A Q14432 1/20 0.70
NR1H4 Q96RI1 1/20 0.70
ALDH1A1 P00352 1/20 0.68
TDP1 Q9NUW8 1/20 0.68
CA1 P00915 2/20 0.66
CA2 P00918 2/20 0.66
LMNA P02545 1/20 0.65
CYP8B1 Q9UNU6 1/20 0.64
ABCB11 O95342 1/20 0.63

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
SCHEMBL31300108 0.99 CYP3A4 (0.75) CYP3A4KMT2AMEN1SLCO1B3SLCO1B1
SCHEMBL14871096 0.96 CYP3A4 (0.78) CYP3A4KMT2AMEN1SLCO1B3SLCO1B1
SCHEMBL197081 0.96 CYP3A4 (0.78) CYP3A4KMT2AMEN1SLCO1B3SLCO1B1
SCHEMBL5440315 0.93 CYP3A4 (0.73) CYP3A4KMT2AMEN1SLCO1B3SLCO1B1
SCHEMBL5438281 0.93 CYP3A4 (0.80) CYP3A4KMT2AMEN1SLCO1B3SLCO1B1
SCHEMBL6346047 0.92 CYP3A4 (0.74) CYP3A4KMT2AMEN1SLCO1B3SLCO1B1
SCHEMBL13360010 0.91 CYP3A4 (0.72) CYP3A4KMT2AMEN1SLCO1B3SLCO1B1
SCHEMBL7199293 0.90 CYP3A4 (0.77) CYP3A4KMT2AMEN1SLCO1B3SLCO1B1
SCHEMBL7196373 0.90 CYP3A4 (0.77) CYP3A4KMT2AMEN1SLCO1B3SLCO1B1
SCHEMBL2973416 0.90 CYP3A4 (0.79) CYP3A4KMT2AMEN1SLCO1B3SLCO1B1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0187749-A1 NOVEL REAGENT AND METHOD EMPLOYING SAME BECKMAN INSTRUMENTS, INC. (US) 1986-07-23 EP claimed
WO-1986000933-A1 NOVEL REAGENT AND METHOD EMPLOYING SAME BECKMAN INSTRUMENTS, INC. (US) 1986-02-13 WO claimed
EP-2438166-B1 METHOD FOR PREPARING PROTEIN, DNA, AND RNA FROM CELL CANON KK (JP) 2015-11-11 EP disclosed
US-9169480-B2 Method for preparing protein, DNA, and RNA from cell CANON KABUSHIKI KAISHA (JP) 2015-10-27 US disclosed
EP-2438166-A1 METHOD FOR PREPARING PROTEIN, DNA, AND RNA FROM CELL Canon Kabushiki Kaisha (JP) 2012-04-11 EP disclosed
US-20120053329-A1 METHOD FOR PREPARING PROTEIN, DNA, AND RNA FROM CELL CANON KABUSHIKI KAISHA (JP) 2012-03-01 US disclosed
WO-2010140598-A1 METHOD FOR PREPARING PROTEIN, DNA, AND RNA FROM CELL CANON KABUSHIKI KAISHA (JP) 2010-12-09 WO disclosed
US-20100055675-A1 METHOD FOR DETECTING MEASLES VIRUS, MEMBRANE ASSAY TEST DEVICE, AND MEMBRANE ASSAY TEST KIT SYSMEX CORPORATION (JP) 2010-03-04 US disclosed
EP-0187749-A1 NOVEL REAGENT AND METHOD EMPLOYING SAME BECKMAN INSTRUMENTS, INC. (US) 1986-07-23 EP disclosed
WO-1986000933-A1 NOVEL REAGENT AND METHOD EMPLOYING SAME BECKMAN INSTRUMENTS, INC. (US) 1986-02-13 WO 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 (1 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-20120053329-A1 METHOD FOR PREPARING PROTEIN, DNA, AND RNA FROM CELL DDX21, HNRNPR, NXF1 CYP3A4 4705/4885KMT2A 2047/4885MEN1 2182/4885

“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.