SCHEMBL3408380

SCHEMBL3408380

COc1ccc(C)cc1NCc1cccc(OC)c1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 1.00
GAA P10253 4/20 1.00
KDM4E B2RXH2 4/20 1.00
MAPK1 P28482 3/20 1.00
TSHR P16473 2/20 1.00
POLB P06746 1/20 1.00
CRHBP P24387 1/20 1.00
CRHR2 Q13324 1/20 1.00
MAPT P10636 7/20 0.68
LMNA P02545 4/20 0.68
TDP1 Q9NUW8 2/20 0.67
L3MBTL1 Q9Y468 2/20 0.67
ABCB1 P08183 1/20 0.55
ABCG2 Q9UNQ0 1/20 0.55
HPGD P15428 2/20 0.55
NPSR1 Q6W5P4 3/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HIF1A Q16665 1/20 0.49

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
SCHEMBL3412565 0.92 ALDH1A1 (0.84) ALDH1A1GAAKDM4EMAPK1TSHR
SCHEMBL3410106 0.88 GAA (0.81) ALDH1A1GAAKDM4EMAPK1TSHR
SCHEMBL14886133 0.84 MAPT (0.72) ALDH1A1GAAKDM4EMAPK1TSHR
SCHEMBL3404174 0.82 ALDH1A1 (0.70) ALDH1A1GAAKDM4EMAPK1TSHR
SCHEMBL11009626 0.81 ALDH1A1 (0.68) ALDH1A1GAAKDM4EMAPK1TSHR
SCHEMBL3420575 0.78 GAA (0.79) ALDH1A1GAAKDM4EMAPK1TSHR
SCHEMBL11010923 0.77 MAPT (0.63) ALDH1A1GAAKDM4EMAPK1TSHR
SCHEMBL5542214 0.77 KDM4E (0.62) ALDH1A1GAAKDM4EMAPK1TSHR
SCHEMBL7000552 0.76 KDM4E (0.69) ALDH1A1GAAKDM4EMAPK1TSHR
SCHEMBL14542280 0.74 ABCB1 (0.62) ALDH1A1GAAKDM4EMAPK1TSHR

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 1771/4885GAA 374/4885KDM4E 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.