SCHEMBL4314992

SCHEMBL4314992

COc1ccc2[nH]cc(C=C3Oc4cc(O)ccc4C3=O)c2c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 6/20 0.73
MTOR P42345 5/20 0.73
PIK3CG P48736 3/20 0.73
TYR P14679 2/20 0.65
PTGS2 P35354 2/20 0.62
KIT P10721 1/20 0.62
HASPIN Q8TF76 1/20 0.57
MAOB P27338 4/20 0.55
RAB9A P51151 2/20 0.53
CISD1 Q9NZ45 1/20 0.51
MAOA P21397 1/20 0.51
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 1/20 0.51
NPC1 O15118 1/20 0.51
USP2 O75604 1/20 0.51
POLB P06746 1/20 0.51
GAA P10253 1/20 0.51
MAPT P10636 1/20 0.51
RECQL P46063 1/20 0.51
KMT2A Q03164 1/20 0.51

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
SCHEMBL4314988 1.00 PIK3CA (0.73) PIK3CAMTORPIK3CGTYRPTGS2
SCHEMBL4325326 0.92 PIK3CA (0.67) PIK3CAMTORPIK3CGTYRPTGS2
SCHEMBL4325330 0.92 PIK3CA (0.67) PIK3CAMTORPIK3CGTYRPTGS2
SCHEMBL4322414 0.88 PIK3CA (0.71) PIK3CAMTORPIK3CGTYRPTGS2
SCHEMBL1429464 0.88 PIK3CA (0.71) PIK3CAMTORPIK3CGTYRPTGS2
SCHEMBL4327546 0.86 PIK3CA (0.60) PIK3CAMTORPIK3CGTYRPTGS2
SCHEMBL1429579 0.86 PIK3CA (0.60) PIK3CAMTORPIK3CGTYRPTGS2
SCHEMBL4315159 0.86 PIK3CA (0.60) PIK3CAMTORPIK3CGTYRPTGS2
SCHEMBL1429429 0.86 PIK3CA (0.60) PIK3CAMTORPIK3CGTYRPTGS2
SCHEMBL1428914 0.86 PIK3CA (0.60) PIK3CAMTORPIK3CGTYRPTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090311217-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-12-17 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 (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-20090311217-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES MTOR, RICTOR, PDPK1 PIK3CA 4/4885MTOR 1/4885PIK3CG 8/4885

“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.