SCHEMBL4334851

SCHEMBL4334851

COC1Oc2ccccc2C1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NT5E P21589 3/20 0.45
CYP19A1 P11511 6/20 0.42
MAOB P27338 2/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
RET P07949 1/20 0.41
KDR P35968 1/20 0.41
PGR P06401 1/20 0.41
KDM4E B2RXH2 4/20 0.40
HSD17B10 Q99714 3/20 0.40
STK17B O94768 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
AR P10275 1/20 0.40
ALDH1A1 P00352 3/20 0.39
HPGD P15428 1/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL25567807 0.93 NT5E (0.43) NT5ECYP19A1MAOBNPC1MAPT
SCHEMBL7534480 0.81 MEN1 (0.43) NT5ECYP19A1MAOBNPC1MAPT
SCHEMBL10708762 0.79 NT5E (0.39) NT5ECYP19A1MAOBNPC1MAPT
SCHEMBL67633 0.79 POLB (0.46) CYP19A1MAOBNPC1MAPTRAB9A
SCHEMBL5457239 0.78 RET (0.40) CYP19A1MAOBNPC1MAPTRAB9A
SCHEMBL7539076 0.74 ALDH1A1 (0.49) MAPTKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL69430 0.74 PARP1 (0.48) CYP19A1MAOBRETKDRKDM4E
SCHEMBL11709624 0.73 RET (0.41) CYP19A1MAOBRETKDRKDM4E
SCHEMBL3410906 0.73 GRM1 (0.39) NT5EMAOBNPC1MAPTRAB9A
SCHEMBL3410904 0.73 GRM1 (0.39) NT5EMAOBNPC1MAPTRAB9A

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 NT5E 3454/4885CYP19A1 901/4885MAOB 979/4885

“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.