SCHEMBL4320359

SCHEMBL4320359

O=C1c2c(O)cccc2OC1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.42
PTPN1 P18031 1/20 0.42
MAOA P21397 4/20 0.41
MAOB P27338 3/20 0.41
MAPT P10636 4/20 0.39
ALOX15 P16050 4/20 0.39
HSD17B10 Q99714 4/20 0.39
MAPK1 P28482 3/20 0.39
ALDH1A1 P00352 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
HPGD P15428 2/20 0.39
TSHR P16473 2/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GUSB P08236 1/20 0.39
RECQL P46063 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
CYP3A4 P08684 3/20 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
SCHEMBL29908852 0.74 OPRD1 (0.42) TTRPTPN1MAOAMAOBMAPT
SCHEMBL22462669 0.73 SOST (0.58) TTRMAPTALOX15HSD17B10MAPK1
SCHEMBL18602048 0.73 MAPT (0.73) PTPN1MAPTALOX15HSD17B10MAPK1
SCHEMBL23707669 0.71 CES2 (0.50) PTPN1MAOAMAOBMAPTALOX15
SCHEMBL9140835 0.71 CES2 (0.50) PTPN1MAOAMAOBMAPTALOX15
SCHEMBL69727 0.69 RET (0.53) MAOBMAPTHSD17B10MAPK1ALDH1A1
SCHEMBL3058451 0.69 NR3C1 (0.50) TTRMAOAMAPTMAPK1ALDH1A1
SCHEMBL3222987 0.69 MAOA (0.41) MAOAMAOBMAPTALOX15HSD17B10
SCHEMBL30871978 0.69 GUSB (0.36) TTRPTPN1MAOAMAOBHSD17B10
SCHEMBL28813644 0.68 MAOA (0.59) TTRPTPN1MAOAMAOBMAPT

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 TTR 4825/4885PTPN1 728/4885MAOA 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.