SCHEMBL4334813

SCHEMBL4334813

CCn1c(C2CCCCC2)c(C=O)c2cc(OC)ccc21

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.54
KDM4E B2RXH2 3/20 0.46
CNR2 P34972 3/20 0.45
PLA2G2A P14555 3/20 0.43
GRIK2 Q13002 2/20 0.43
GRIK1 P39086 1/20 0.43
POLB P06746 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
BACE1 P56817 1/20 0.38

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
SCHEMBL1429005 0.88 CNR2 (0.45) PTGER4KDM4ECNR2PLA2G2AHSD17B10
SCHEMBL1429118 0.86 PTGER4 (0.44) PTGER4KDM4ECNR2PLA2G2AHSD17B10
SCHEMBL1429158 0.85 PTGER4 (0.44) PTGER4KDM4ECNR2PLA2G2AHSD17B10
SCHEMBL1429889 0.82 PLA2G2A (0.47) PTGER4KDM4ECNR2PLA2G2AMEN1
SCHEMBL1429633 0.82 NPC1 (0.46) PTGER4KDM4ECNR2PLA2G2ANPSR1
SCHEMBL1429817 0.81 PLA2G2A (0.46) PTGER4KDM4ECNR2PLA2G2AHSD17B10
SCHEMBL1428924 0.81 PLA2G2A (0.45) PTGER4KDM4ECNR2PLA2G2AMEN1
SCHEMBL1428930 0.80 NPC1 (0.47) PTGER4KDM4ECNR2PLA2G2AMEN1
SCHEMBL1428931 0.80 NPC1 (0.47) PTGER4KDM4ECNR2PLA2G2AMEN1
SCHEMBL1430049 0.80 HTR6 (0.40) PTGER4CNR2PLA2G2ABACE1

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 3 patents. 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
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
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 PTGER4 3329/4885KDM4E 777/4885CNR2 829/4885

“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.