SCHEMBL3404445

SCHEMBL3404445

COc1ccc(CNc2ccccc2O)cc1OC

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.68
KDM4E B2RXH2 6/20 0.68
MAPT P10636 6/20 0.68
TDP1 Q9NUW8 4/20 0.68
HPGD P15428 3/20 0.68
LMNA P02545 2/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
KMT2A Q03164 4/20 0.63
GAA P10253 4/20 0.63
POLB P06746 2/20 0.63
ALOX15 P16050 2/20 0.63
HSD17B10 Q99714 2/20 0.63
L3MBTL1 Q9Y468 1/20 0.62
HDAC1 Q13547 2/20 0.59
HDAC2 Q92769 1/20 0.59
MEN1 O00255 1/20 0.57
THRB P10828 1/20 0.57
ALOX12 P18054 1/20 0.57
ABCB1 P08183 1/20 0.56
ABCG2 Q9UNQ0 1/20 0.56

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
SCHEMBL7793212 0.82 MAPT (0.68) ALDH1A1KDM4EMAPTTDP1HPGD
SCHEMBL29781287 0.82 MAPT (0.68) ALDH1A1KDM4EMAPTTDP1HPGD
SCHEMBL27925715 0.81 MAPT (0.66) ALDH1A1KDM4EMAPTTDP1HPGD
SCHEMBL29932030 0.80 KMT2A (0.67) ALDH1A1KDM4EMAPTHPGDLMNA
SCHEMBL17177263 0.80 KMT2A (0.67) ALDH1A1KDM4EMAPTHPGDLMNA
SCHEMBL5518455 0.79 MAPT (0.56) ALDH1A1KDM4EMAPTTDP1HPGD
SCHEMBL5514795 0.78 L3MBTL1 (0.57) ALDH1A1KDM4EMAPTTDP1HPGD
SCHEMBL6261878 0.78 MAPT (0.88) ALDH1A1KDM4EMAPTHPGDLMNA
SCHEMBL16294684 0.78 ALDH1A1 (0.65) ALDH1A1KDM4EMAPTTDP1HPGD
SCHEMBL4861526 0.78 MAPT (0.74) ALDH1A1KDM4EMAPTTDP1HPGD

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 ALDH1A1 1771/4885KDM4E 2256/4885MAPT 4340/4885

“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.