SCHEMBL3410102

SCHEMBL3410102

CCOc1ccc(CNc2ccc(C)cc2C)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.51
ALDH1A1 P00352 5/20 0.51
POLB P06746 1/20 0.51
CALM1 P0DP23 3/20 0.50
TP53 P04637 1/20 0.50
MAPT P10636 5/20 0.47
KDM4E B2RXH2 5/20 0.47
TDP1 Q9NUW8 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
HPGD P15428 2/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
GAA P10253 3/20 0.47
TSHR P16473 2/20 0.47
MAPK1 P28482 1/20 0.47
KMT2A Q03164 2/20 0.46
HTT P42858 1/20 0.46
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL3412013 0.85 MAPT (0.58) LMNAALDH1A1POLBCALM1TP53
SCHEMBL14886127 0.84 ALDH1A1 (0.65) LMNAALDH1A1POLBTP53MAPT
SCHEMBL3409542 0.82 MAPT (0.50) LMNAALDH1A1POLBMAPTKDM4E
SCHEMBL3412404 0.79 ALDH1A1 (0.74) LMNAALDH1A1POLBMAPTKDM4E
SCHEMBL3404399 0.77 POLB (0.55) LMNAALDH1A1POLBMAPTKDM4E
SCHEMBL7634998 0.76 ACHE (0.68) ALDH1A1POLBCALM1MAPTKDM4E
SCHEMBL1251841 0.75 CALM1 (0.58) ALDH1A1POLBCALM1MAPTKDM4E
SCHEMBL3412563 0.72 MAPT (0.66) LMNAALDH1A1POLBTP53MAPT
SCHEMBL9781302 0.72 KMT2A (0.55) LMNAALDH1A1POLBCALM1MAPT
SCHEMBL8171761 0.71 CALM1 (0.65) LMNAALDH1A1CALM1TP53MAPT

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 3 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
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 LMNA 2853/4885ALDH1A1 1771/4885POLB 4854/4885

“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.