SCHEMBL17149347

SCHEMBL17149347

Cc1ccc(Cn2cc3cc(B4OC(C)(C)C(C)(C)O4)ccc3n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LPL P06858 6/20 0.39
LIPG Q9Y5X9 6/20 0.39
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
DUSP3 P51452 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HDAC6 Q9UBN7 1/20 0.36
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
ESR2 Q92731 1/20 0.36
SNCA P37840 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
HIF1A Q16665 1/20 0.35
NPC1 O15118 1/20 0.35
F11 P03951 1/20 0.35
KMT2A Q03164 1/20 0.35
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
FFAR1 O14842 1/20 0.34

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
SCHEMBL5076837 0.89 LIPG (0.42) LPLLIPGIDO1TDO2PRMT5
SCHEMBL17136785 0.86 MAPT (0.37) LPLLIPGHDAC6IDO1TDO2
SCHEMBL17113584 0.82 LPL (0.41) LPLLIPGIDO1TDO2ESR2
SCHEMBL5077627 0.81 LPL (0.44) LPLLIPGESR2SNCAF11
SCHEMBL30928610 0.81 IDO1 (0.39) LPLLIPGIDO1TDO2ESR2
SCHEMBL31394882 0.80 LPL (0.43) LPLLIPGIDO1TDO2ESR2
SCHEMBL5076644 0.80 LIPG (0.42) LPLLIPGIRAK4PRMT5WDR77
SCHEMBL23633173 0.79 LPL (0.36) LPLLIPGIDO1TDO2ESR2
SCHEMBL23638441 0.79 FFAR1 (0.39) LPLLIPGHDAC6IDO1TDO2
SCHEMBL14312927 0.78 ALDH1A1 (0.41) LPLLIPGSMN1; SMN2IRAK4KMT2A

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-20150284383-A1 INDOLE DERIVATIVES AND USE THEREOF PURDUE PHARMA L.P. 2015-10-08 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-20150284383-A1 INDOLE DERIVATIVES AND USE THEREOF TRPC4, TRPV4, TRPV1 LPL 4363/4885LIPG 4691/4885RAB9A 2510/4885

“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.