SCHEMBL3414166

SCHEMBL3414166

CCOc1cc(CNc2ccccc2SC)ccc1OC

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.82
ALDH1A1 P00352 7/20 0.82
MAPT P10636 7/20 0.82
HPGD P15428 4/20 0.82
LMNA P02545 4/20 0.82
TDP1 Q9NUW8 3/20 0.82
SMN1; SMN2 Q16637 3/20 0.82
KMT2A Q03164 5/20 0.73
GAA P10253 2/20 0.73
ALOX15 P16050 2/20 0.73
HSD17B10 Q99714 2/20 0.73
TSHR P16473 2/20 0.73
POLB P06746 2/20 0.69
L3MBTL1 Q9Y468 2/20 0.51
APAF1 O14727 1/20 0.47
ABCB1 P08183 1/20 0.47
ABCG2 Q9UNQ0 1/20 0.47
MEN1 O00255 1/20 0.45
F2 P00734 1/20 0.45
F10 P00742 1/20 0.45

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
SCHEMBL3410940 0.80 MAPT (0.65) KDM4EALDH1A1MAPTHPGDLMNA
SCHEMBL3412013 0.79 MAPT (0.58) KDM4EALDH1A1MAPTHPGDLMNA
SCHEMBL3408579 0.78 MAPT (0.52) KDM4EALDH1A1MAPTHPGDLMNA
SCHEMBL14886127 0.75 ALDH1A1 (0.65) KDM4EALDH1A1MAPTHPGDLMNA
SCHEMBL27925715 0.74 MAPT (0.66) KDM4EALDH1A1MAPTHPGDLMNA
SCHEMBL3409542 0.73 MAPT (0.50) KDM4EALDH1A1MAPTHPGDLMNA
SCHEMBL7793212 0.72 MAPT (0.68) KDM4EALDH1A1MAPTHPGDLMNA
SCHEMBL3404445 0.72 ALDH1A1 (0.68) KDM4EALDH1A1MAPTHPGDLMNA
SCHEMBL29781287 0.72 MAPT (0.68) KDM4EALDH1A1MAPTHPGDLMNA
SCHEMBL8772808 0.71 KDM4E (0.50) KDM4EALDH1A1MAPTHPGDLMNA

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 KDM4E 2256/4885ALDH1A1 1771/4885MAPT 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.