SCHEMBL6284989

SCHEMBL6284989

COC1O[C@H](CO)[C@@H]2OC(C)(C)O[C@H]12

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 1/20 0.36
PI4K2B Q8TCG2 1/20 0.36
PI4K2A Q9BTU6 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
LGALS8 O00214 2/20 0.36
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CA2 P00918 2/20 0.33
MGAM O43451 2/20 0.33
SI P14410 2/20 0.33
CA1 P00915 1/20 0.33
CA9 Q16790 1/20 0.33

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
SCHEMBL13191783 1.00 PI4KA (0.36) PI4KAPI4K2BPI4K2API4KBLGALS8
SCHEMBL2621340 1.00 PI4KA (0.36) PI4KAPI4K2BPI4K2API4KBLGALS8
SCHEMBL7230050 1.00 PI4KA (0.36) PI4KAPI4K2BPI4K2API4KBLGALS8
SCHEMBL13912806 1.00 PI4KA (0.36) PI4KAPI4K2BPI4K2API4KBLGALS8
SCHEMBL14709162 1.00 PI4KA (0.36) PI4KAPI4K2BPI4K2API4KBLGALS8
SCHEMBL24481795 1.00 PI4KA (0.36) PI4KAPI4K2BPI4K2API4KBLGALS8
SCHEMBL8524155 1.00 PI4KA (0.36) PI4KAPI4K2BPI4K2API4KBLGALS8
SCHEMBL12940449 1.00 PI4KA (0.36) PI4KAPI4K2BPI4K2API4KBLGALS8
SCHEMBL12902288 1.00 PI4KA (0.36) PI4KAPI4K2BPI4K2API4KBLGALS8
SCHEMBL18862675 1.00 PI4KA (0.36) PI4KAPI4K2BPI4K2API4KBLGALS8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160304478-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2016-10-20 US disclosed
US-20160304478-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2016-10-20 US disclosed
US-9428452-B2 Compounds GLAXO GROUP LIMITED (GB) 2016-08-30 US disclosed
US-9428452-B2 Compounds GLAXO GROUP LIMITED (GB) 2016-08-30 US disclosed
US-20150080369-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2015-03-19 US disclosed
US-20150080369-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2015-03-19 US disclosed
WO-2013160418-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-10-31 WO disclosed
US-6927294-B1 Nitrogen-containing heterocycles UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2005-08-09 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-20150080369-A1 NOVEL COMPOUNDS RORC, RORB, RORA PI4KA 1520/4885PI4K2B 2238/4885PI4K2A 2297/4885
US-20160304478-A1 NOVEL COMPOUNDS RORC, RORB, RORA PI4KA 1520/4885PI4K2B 2238/4885PI4K2A 2297/4885

“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.