SCHEMBL3410106

SCHEMBL3410106

COc1ccccc1CNc1cc(C)ccc1OC

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.81
ALDH1A1 P00352 6/20 0.78
KDM4E B2RXH2 4/20 0.78
TSHR P16473 2/20 0.78
MAPK1 P28482 2/20 0.78
POLB P06746 2/20 0.78
CRHBP P24387 1/20 0.78
CRHR2 Q13324 1/20 0.78
MAPT P10636 8/20 0.70
LMNA P02545 3/20 0.70
L3MBTL1 Q9Y468 2/20 0.70
TDP1 Q9NUW8 1/20 0.70
HPGD P15428 2/20 0.69
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53

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
SCHEMBL14886133 0.89 MAPT (0.72) GAAALDH1A1KDM4ETSHRMAPK1
SCHEMBL3408380 0.88 ALDH1A1 (1.00) GAAALDH1A1KDM4ETSHRMAPK1
SCHEMBL11009626 0.87 ALDH1A1 (0.68) GAAALDH1A1KDM4ETSHRMAPK1
SCHEMBL11010923 0.83 MAPT (0.63) GAAALDH1A1KDM4ETSHRMAPK1
SCHEMBL13726348 0.82 MAPT (1.00) GAAALDH1A1KDM4ETSHRMAPK1
SCHEMBL3412565 0.80 ALDH1A1 (0.84) GAAALDH1A1KDM4ETSHRMAPK1
SCHEMBL3420575 0.78 GAA (0.79) GAAALDH1A1KDM4ETSHRMAPK1
SCHEMBL27930738 0.78 GAA (0.58) GAAALDH1A1KDM4ETSHRMAPK1
SCHEMBL4387302 0.76 MAPT (0.63) GAAALDH1A1KDM4ETSHRMAPK1
SCHEMBL8772797 0.76 ALDH1A1 (0.58) GAAALDH1A1KDM4ETSHRMAPK1

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 GAA 374/4885ALDH1A1 1771/4885KDM4E 2256/4885

“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.