SCHEMBL3404399

SCHEMBL3404399

COc1ccc(CNc2ccc(Br)cc2C)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.55
ALDH1A1 P00352 6/20 0.53
MAPT P10636 5/20 0.53
LMNA P02545 4/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
KDM4E B2RXH2 3/20 0.53
TDP1 Q9NUW8 3/20 0.53
HPGD P15428 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.52
KMT2A Q03164 1/20 0.52
GAA P10253 3/20 0.51
ABCB1 P08183 1/20 0.45
ABCG2 Q9UNQ0 1/20 0.45
CA2 P00918 2/20 0.45
CA1 P00915 1/20 0.45
CA9 Q16790 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
SCHEMBL8065663 0.79 MAPT (0.74) POLBALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL3410102 0.77 LMNA (0.51) POLBALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL3412404 0.77 ALDH1A1 (0.74) POLBALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL16299041 0.75 MAPT (0.57) ALDH1A1MAPTLMNASMN1; SMN2KDM4E
SCHEMBL3409542 0.75 MAPT (0.50) POLBALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL1242644 0.74 MAPT (0.43) POLBALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL16763191 0.73 GAA (0.50) ALDH1A1MAPTSMN1; SMN2KDM4ETDP1
SCHEMBL10144038 0.72 MEN1 (0.55) ALDH1A1MAPTLMNASMN1; SMN2KDM4E
SCHEMBL3412013 0.72 MAPT (0.58) POLBALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL30691806 0.72 HDAC1 (0.52) ALDH1A1MAPTLMNASMN1; SMN2KDM4E

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 POLB 4854/4885ALDH1A1 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.