SCHEMBL3404174

SCHEMBL3404174

COc1cccc(CNc2cccc(C)c2)c1OC

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.70
KDM4E B2RXH2 5/20 0.70
GAA P10253 4/20 0.70
MAPK1 P28482 3/20 0.70
POLB P06746 2/20 0.70
TSHR P16473 1/20 0.70
CRHBP P24387 1/20 0.70
CRHR2 Q13324 1/20 0.70
MAPT P10636 9/20 0.62
NPC1 O15118 4/20 0.59
RAB9A P51151 3/20 0.59
HIF1A Q16665 1/20 0.59
LMNA P02545 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
NPSR1 Q6W5P4 2/20 0.56
HPGD P15428 3/20 0.56
THRB P10828 1/20 0.56
PKM P14618 1/20 0.56
TP53 P04637 2/20 0.54
TDP1 Q9NUW8 2/20 0.54

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
SCHEMBL3408380 0.82 ALDH1A1 (1.00) ALDH1A1KDM4EGAAMAPK1POLB
SCHEMBL5713779 0.81 TUBB4A (0.64) ALDH1A1KDM4EGAAMAPK1POLB
SCHEMBL3412565 0.80 ALDH1A1 (0.84) ALDH1A1KDM4EGAAMAPK1POLB
SCHEMBL6496801 0.78 MAPT (0.60) ALDH1A1KDM4EGAAMAPK1POLB
SCHEMBL7000552 0.76 KDM4E (0.69) ALDH1A1KDM4EGAAMAPK1POLB
SCHEMBL26085717 0.74 MAPT (0.63) ALDH1A1KDM4EGAAMAPTNPC1
SCHEMBL6528937 0.74 MAPT (0.56) ALDH1A1KDM4EGAAMAPK1POLB
SCHEMBL6485628 0.74 MAPT (0.56) ALDH1A1KDM4EGAAMAPK1POLB
SCHEMBL6485068 0.74 MAPT (0.56) ALDH1A1KDM4EGAAMAPK1POLB
SCHEMBL680393 0.74 ALDH1A1 (0.58) ALDH1A1KDM4EGAAMAPK1POLB

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 2256/4885GAA 374/4885

“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.