SCHEMBL4327142

SCHEMBL4327142

O=C1COc2cccc(-c3ccccc3)c21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.42
MAOB P27338 5/20 0.41
MAOA P21397 2/20 0.41
PKM P14618 1/20 0.40
TSHR P16473 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
KMT2A Q03164 2/20 0.39
MAPT P10636 5/20 0.39
KDM4E B2RXH2 3/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
RAB9A P51151 1/20 0.39
HSD17B10 Q99714 3/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 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
SCHEMBL28881403 0.80 MAOB (0.47) THRBMAOBMAOATSHRKMT2A
SCHEMBL27988072 0.76 MAOA (0.57) MAOBMAOAHDAC4HDAC2HDAC8
3-Coumaranone SCHEMBL29420742 0.74 PKM (0.56) MAOBMAOAPKMTSHRKMT2A
3-Coumaranone SCHEMBL69412 0.74 PKM (0.56) MAOBMAOAPKMTSHRKMT2A
SCHEMBL26376962 0.73 THRB (0.41) THRBMAOBMAOATSHRKMT2A
SCHEMBL5539707 0.73 KDM4E (0.38) MAOBMAOAPKMTSHRKMT2A
SCHEMBL26376964 0.72 THRB (0.40) THRBMAOBMAOATSHRKMT2A
SCHEMBL26376966 0.72 THRB (0.40) THRBMAOBMAOATSHRKMT2A
SCHEMBL1137861 0.72 MAPT (0.47) THRBMAOBMAOATSHRKMT2A
SCHEMBL1265859 0.72 NOTUM (0.47) MAOBMAOAPKMKMT2AMAPT

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 THRB 2350/4885MAOB 979/4885MAOA 970/4885

“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.