SCHEMBL4094081

SCHEMBL4094081

COc1ccc2c(c1)cc(CO)n2CCO

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
KDM4E B2RXH2 5/20 0.47
HPGD P15428 4/20 0.47
HSD17B10 Q99714 3/20 0.47
GRIK1 P39086 1/20 0.46
GRIK2 Q13002 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
MAPT P10636 3/20 0.41
CCR2 P41597 1/20 0.41
POLB P06746 1/20 0.41
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL4056506 0.88 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDHSD17B10GRIK1
SCHEMBL7971117 0.83 MAOA (0.58) ALDH1A1KDM4EHPGDHSD17B10GRIK1
SCHEMBL3953149 0.78 KDM4E (0.68) ALDH1A1KDM4EHPGDHSD17B10GRIK1
SCHEMBL28962389 0.77 MAOA (0.41) ALDH1A1KDM4EHPGDHSD17B10GRIK1
SCHEMBL30040785 0.77 MAOA (0.41) ALDH1A1KDM4EHPGDHSD17B10GRIK1
SCHEMBL13044504 0.77 MAOA (0.56) ALDH1A1KDM4EHPGDHSD17B10GRIK1
SCHEMBL5100950 0.76 CCR9 (0.56) SMN1; SMN2MTNR1AMTNR1BCCR2POLB
SCHEMBL4204521 0.73 MTNR1A (0.60) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL17680565 0.71 MAOA (0.59) ALDH1A1KDM4EHPGDHSD17B10GRIK1
SCHEMBL9515354 0.70 MAOA (0.58) ALDH1A1KDM4EHPGDHSD17B10GRIK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009097515-A2 [A]-FUSED INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-08-06 WO disclosed
US-20090192147-A1 [a]-FUSED INDOLE COMPOUNDS, THEIR USE AS mTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-07-30 US disclosed
US-20090192147-A1 [a]-FUSED INDOLE COMPOUNDS, THEIR USE AS mTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-07-30 US disclosed
US-20090192147-A1 [a]-FUSED INDOLE COMPOUNDS, THEIR USE AS mTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-07-30 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-20090192147-A1 [a]-FUSED INDOLE COMPOUNDS, THEIR USE AS mTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES MTOR, RICTOR, PIK3C2A ALDH1A1 3904/4885KDM4E 1263/4885HPGD 2539/4885

“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.