SCHEMBL3420784

SCHEMBL3420784

COc1cc(CNc2cccc(C)c2C)ccc1OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX1 Q96LB2 3/20 0.56
F2 P00734 1/20 0.55
F10 P00742 1/20 0.55
PRSS1 P07477 1/20 0.55
F7 P08709 1/20 0.55
KMT2A Q03164 5/20 0.54
ALDH1A1 P00352 5/20 0.54
MAPT P10636 5/20 0.54
KDM4E B2RXH2 4/20 0.54
L3MBTL1 Q9Y468 3/20 0.54
MEN1 O00255 3/20 0.54
GAA P10253 3/20 0.54
TP53 P04637 1/20 0.54
ALOX12 P18054 1/20 0.54
MAPK1 P28482 1/20 0.54
BCHE P06276 1/20 0.54
LMNA P02545 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
TDP1 Q9NUW8 3/20 0.52
HPGD P15428 2/20 0.52

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
SCHEMBL31192466 0.81 MRGPRX1 (0.74) MRGPRX1F2F10PRSS1F7
SCHEMBL3412013 0.79 MAPT (0.58) KMT2AALDH1A1MAPTKDM4EL3MBTL1
SCHEMBL5525095 0.78 BCHE (0.64) MRGPRX1F2F10PRSS1F7
SCHEMBL3051565 0.78 LMNA (0.74) MRGPRX1F2F10PRSS1F7
SCHEMBL22387608 0.78 KMT2A (0.56) MRGPRX1F2F10PRSS1F7
SCHEMBL31192444 0.77 BCHE (0.63) MRGPRX1F2F10PRSS1F7
SCHEMBL9416614 0.77 LMNA (0.73) MRGPRX1F2F10PRSS1F7
SCHEMBL2232108 0.76 HSD17B10 (0.60) KMT2AMAPTKDM4EMEN1GAA
SCHEMBL13958923 0.76 BCHE (0.62) MRGPRX1F2F10PRSS1F7
SCHEMBL13973184 0.76 BCHE (0.69) MRGPRX1F2F10PRSS1F7

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 MRGPRX1 623/4885F2 3840/4885F10 2929/4885

“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.