SCHEMBL3411267

SCHEMBL3411267

COc1cc(CO)ccc1OCc1ccccc1C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.60
GAA P10253 3/20 0.60
ALDH1A1 P00352 1/20 0.60
MAPT P10636 1/20 0.60
HTT P42858 2/20 0.57
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
POLB P06746 2/20 0.54
NPC1 O15118 1/20 0.54
HDAC1 Q13547 1/20 0.53
HDAC2 Q92769 1/20 0.53
ABCB1 P08183 3/20 0.51
HTR1A P08908 1/20 0.49
ADRA1D P25100 1/20 0.49
ADRA1A P35348 1/20 0.49
ADRA1B P35368 1/20 0.49
ABCG2 Q9UNQ0 1/20 0.49
LMNA P02545 1/20 0.48
FFAR4 Q5NUL3 1/20 0.46
S1PR1 P21453 1/20 0.46

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
SCHEMBL7946340 0.86 RAB9A (0.58) RAB9AGAAALDH1A1MAPTHTT
SCHEMBL3459033 0.86 RAB9A (0.58) RAB9AGAAALDH1A1MAPTHTT
SCHEMBL31725848 0.82 NPC1 (0.63) RAB9AALDH1A1MAPTKMT2AMEN1
SCHEMBL698056 0.82 NPC1 (0.63) RAB9AALDH1A1MAPTKMT2AMEN1
SCHEMBL13929792 0.82 L3MBTL1 (0.60) RAB9AGAAALDH1A1MAPTHTT
SCHEMBL8992888 0.79 MEN1 (0.44) RAB9AGAAALDH1A1MAPTHTT
SCHEMBL6921091 0.79 ABCB1 (0.49) RAB9AGAAALDH1A1MAPTHTT
SCHEMBL1235271 0.78 SLC22A12 (0.59) RAB9AGAAALDH1A1MAPTPOLB
SCHEMBL3457501 0.77 HTT (0.65) RAB9AGAAALDH1A1MAPTHTT
SCHEMBL19237513 0.77 RAB9A (0.49) RAB9AGAAALDH1A1MAPTHTT

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
US-20130101684-A1 Compounds, Compositions, And Methods For Reducing Or Eliminating Bitter Taste CHROMOCELL CORPORATION (US) 2013-04-25 US disclosed
US-20130101684-A1 Compounds, Compositions, And Methods For Reducing Or Eliminating Bitter Taste CHROMOCELL CORPORATION (US) 2013-04-25 US disclosed
WO-2011130707-A9 COMPOUNDS, COMPOSITIONS, AND METHODS FOR REDUCING OR ELIMINATING BITTER TASTE CHROMOCELL CORPORATION (US) 2012-01-05 WO disclosed
WO-2011130707-A2 COMPOUNDS, COMPOSITIONS, AND METHODS FOR REDUCING OR ELIMINATING BITTER TASTE CHROMOCELL CORPORATION (US) 2011-10-20 WO 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-20130101684-A1 Compounds, Compositions, And Methods For Reducing Or Eliminating Bitter Taste TAS2R5, TAS2R20, TAS2R10 RAB9A 2110/4885GAA 374/4885ALDH1A1 1771/4885

“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.